2-(2,2-diphenylethanoyl)-5-[(4-methoxy-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,2-diphenylethanoyl)-5-[(4-methoxy-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-diphenylacetyl)-5-[(4-methoxy-3-methyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 5-[(4-methoxy-3-methylphenyl)methyl]-2-(1-oxo-2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,2-diphenylacetyl)-5-[(4-methoxy-3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,2-diphenylacetyl)-5-(4-methoxy-3-methyl-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C33H31NO4 MolecularWeight: 505.60354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC=CC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC=CC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)OC

InChI

InChI=1S/C33H31NO4/c1-22-18-23(16-17-30(22)38-2)19-26-14-9-15-27-21-34(29(33(36)37)20-28(26)27)32(35)31(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-18,29,31H,19-21H2,1-2H3,(H,36,37)