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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-2-[methyl(phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 5-[(4-methoxyphenyl)methyl]-2-[methyl(phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 5-[(4-methoxyphenyl)methyl]-2-[(N-methylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 5-[(4-methoxyphenyl)methyl]-2-[methyl(phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[methyl(phenyl)carbamoyl]-5-p-anisyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)N2CC3=C(CC2C(=O)O)C(=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)N2CC3=C(CC2C(=O)O)C(=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H26N2O4/c1-27(21-9-4-3-5-10-21)26(31)28-17-20-8-6-7-19(23(20)16-24(28)25(29)30)15-18-11-13-22(32-2)14-12-18/h3-14,24H,15-17H2,1-2H3,(H,29,30)