(3R)-N-(4-butoxyphenyl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(4-butoxyphenyl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-butoxyphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-butoxyphenyl)-2-[oxo-(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-butoxyphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-butoxyphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C33H32N2O4 MolecularWeight: 520.61818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C33H32N2O4/c1-2-3-20-38-28-18-16-27(17-19-28)34-32(36)31-22-24-10-7-8-11-26(24)23-35(31)33(37)25-12-9-15-30(21-25)39-29-13-5-4-6-14-29/h4-19,21,31H,2-3,20,22-23H2,1H3,(H,34,36)/t31-/m1/s1