[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H24ClN3O5 MolecularWeight: 409.86396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C)Cl

InChI

InChI=1S/C19H24ClN3O5/c1-13-3-4-15(11-16(13)20)21-17(25)12-28-19(27)6-5-18(26)23-9-7-22(8-10-23)14(2)24/h3-4,11H,5-10,12H2,1-2H3,(H,21,25)