4-[6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-butanoic acid CAS Name: 4-[6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid Traditional Name: 4-[6,7-dimethoxy-1-(4-phenylbenzyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-butyric acid Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H29NO5/c1-33-25-17-22-14-15-29(27(30)12-13-28(31)32)24(23(22)18-26(25)34-2)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17-18,24H,12-16H2,1-2H3,(H,31,32)