5-[(4-aminophenyl)methoxy]-2-(2,2-diphenylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 5-[(4-aminophenyl)methoxy]-2-(2,2-diphenylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 5-[(4-aminophenyl)methoxy]-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 5-[(4-aminophenyl)methoxy]-6-methoxy-2-(1-oxo-2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 5-[(4-aminophenyl)methoxy]-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 5-(4-aminobenzyl)oxy-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C32H30N2O5 MolecularWeight: 522.591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=C(C=C5)N

Isomeric SMILES

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=C(C=C5)N

InChI

InChI=1S/C32H30N2O5/c1-38-28-17-14-24-19-34(31(35)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23)27(32(36)37)18-26(24)30(28)39-20-21-12-15-25(33)16-13-21/h2-17,27,29H,18-20,33H2,1H3,(H,36,37)