[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5/c1-18-8-9-19(2)21(16-18)22(29)10-11-24(31)33-17-23(30)27-12-14-28(15-13-27)25(32)26-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,26,32)