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

Systemtic Name: 2-(2,2-diphenylethanoyl)-5-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-diphenylacetyl)-5-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 5-[(4-methoxyphenyl)methyl]-2-(1-oxo-2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,2-diphenylacetyl)-5-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,2-diphenylacetyl)-5-p-anisyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C32H29NO4 MolecularWeight: 491.57696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CC=CC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CC=CC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H29NO4/c1-37-27-17-15-22(16-18-27)19-25-13-8-14-26-21-33(29(32(35)36)20-28(25)26)31(34)30(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-18,29-30H,19-21H2,1H3,(H,35,36)