[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 4-(benzylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)amino]butanoic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(benzylamino)-4-oxobutanoate Traditional Name: 4-(benzylamino)-4-keto-butyric acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H24N2O6/c1-27-16-8-9-17(18(12-16)28-2)23-20(25)14-29-21(26)11-10-19(24)22-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,24)(H,23,25)