methyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate

Systemtic Name: methyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Openeye Name: methyl 2-[2-(4-methoxyanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate CAS Name: 2-[2-(4-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Traditional Name: 2-[2-keto-2-(p-anisidino)ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CN2CCC3=C(C2)C=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CN2CCC3=C(C2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O4/c1-25-18-7-5-17(6-8-18)21-19(23)13-22-10-9-14-11-15(20(24)26-2)3-4-16(14)12-22/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)