[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C24H22N2O5/c1-16-8-10-19(11-9-16)25-22(27)15-31-24(29)20-13-17-5-2-3-6-18(17)14-26(20)23(28)21-7-4-12-30-21/h2-12,20H,13-15H2,1H3,(H,25,27)