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

Systemtic Name: methyl 2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Openeye Name: methyl 2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate CAS Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Traditional Name: 2-[2-(4-carbethoxyanilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-3-29-22(27)15-6-8-19(9-7-15)23-20(25)14-24-11-10-16-12-17(21(26)28-2)4-5-18(16)13-24/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,23,25)