[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C27H25NO6/c1-18-7-10-21(11-8-18)28-27(31)26(19-5-3-2-4-6-19)34-25(30)14-12-22(29)20-9-13-23-24(17-20)33-16-15-32-23/h2-11,13,17,26H,12,14-16H2,1H3,(H,28,31)