2-(6,7-dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl N-quinolin-4-ylcarbamate

Systemtic Name: 2-(6,7-dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl N-quinolin-4-ylcarbamate Openeye Name: 2-(6,7-dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl N-(4-quinolyl)carbamate CAS Name: N-(4-quinolinyl)carbamic acid 2-(6,7-dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl ester IUPAC Name: 2-(6,7-dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl N-quinolin-4-ylcarbamate Traditional Name: N-(4-quinolyl)carbamic acid 2-(6,7-dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl ester Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CCOC(=O)NC3=CC=NC4=CC=CC=C43)CCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CCOC(=O)NC3=CC=NC4=CC=CC=C43)CCC5=CC=CC=C5)OC

InChI

InChI=1S/C31H33N3O4/c1-36-29-20-23-15-17-34(28(25(23)21-30(29)37-2)13-12-22-8-4-3-5-9-22)18-19-38-31(35)33-27-14-16-32-26-11-7-6-10-24(26)27/h3-11,14,16,20-21,28H,12-13,15,17-19H2,1-2H3,(H,32,33,35)