(3S)-2-(4-methoxy-3-phenoxy-phenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-methoxy-3-phenoxy-phenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-methoxy-3-phenoxy-benzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(4-methoxy-3-phenoxyphenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methoxy-3-phenoxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(4-methoxy-3-phenoxy-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C35H36N2O4 MolecularWeight: 548.67134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=C(C=C4)OC)OC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=C(C=C4)OC)OC5=CC=CC=C5

InChI

InChI=1S/C35H36N2O4/c1-3-4-6-11-25-16-19-29(20-17-25)36-34(38)31-22-26-12-9-10-13-28(26)24-37(31)35(39)27-18-21-32(40-2)33(23-27)41-30-14-7-5-8-15-30/h5,7-10,12-21,23,31H,3-4,6,11,22,24H2,1-2H3,(H,36,38)/t31-/m0/s1