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CAS Number: 180468-42-2
(S)-ethyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Structure

(S)-ethyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Name: (S)-ethyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Synonyms:
General Information
Product Number: 180468422
CAS Registry Number: 180468-42-2
Name:
2(1H)​-​Isoquinolinecarboxyl​ic acid, 3,​4-​dihydro-​1-​phenyl-​, ethyl ester, (1S)​-
2(1H)​-​Isoquinolinecarboxyl​ic acid, 3,​4-​dihydro-​1-​phenyl-​, ethyl ester, (S)​-; (S)​-​1-​Phenyl-​3,​4-​dihydro-​1H-​isoquinolinecarboxyl​ic acid ethyl ester; Ethyl (1S)​-​1-​phenyl-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​2-​carboxylate; Ethyl (1S)​-​3,​4-​dihydro-​1-​phenyl-​2(1H)​-​isoquinolinecarboxyl​ate; Ethyl (S)​-​1-​phenyl-​1,​2,​3,​4-​tetrahydro-​2-​isoquinolinecarboxyl​ate; Ethyl (S)​-​1-​phenyl-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​2-​carboxylate 
 
Chemical Formula: C18H19NO2
Exact Mass: 281.14
Molecular Weight: 281.35
m/z: 281.14 (100.0%), 282.14 (19.8%), 283.15 (2.3%)
Elemental Analysis: C, 76.84; H, 6.81; N, 4.98; O, 11.37
 
InChI: InChI=1S/C18H19NO2/c1-2-21-18(20)19-13-12-14-8-6-7-11-16(14)17(19)15-9-4-3-5-10-15/h3-11,17H,2,12-13H2,1H3/t17-/m0/s1
InChIKey: DKKVDRQVNMALLN-KRWDZBQOSA-N
Canonical SMILES : CCOC(=O)N1CCC2=CC=CC=C2C1C3=CC=CC=C3
Isomeric SMILES: CCOC(=O)N1CCC2=CC=CC=C2[C@@H]1C3=CC=CC=C3

Specification

98%

References
  1. (1) Naito, Ryo; Journal of Medicinal Chemistry 2005, V48(21), P6597-6606 CAPLUS
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