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

Systemtic Name: (3R)-N-(4-ethoxyphenyl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-ethoxyphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-ethoxyphenyl)-2-[oxo-(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-ethoxyphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(3-phenoxybenzoyl)-N-p-phenetyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O4/c1-2-36-26-17-15-25(16-18-26)32-30(34)29-20-22-9-6-7-10-24(22)21-33(29)31(35)23-11-8-14-28(19-23)37-27-12-4-3-5-13-27/h3-19,29H,2,20-21H2,1H3,(H,32,34)/t29-/m1/s1