[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C24H28ClN3O5 MolecularWeight: 473.94922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O5/c1-18-16-19(25)9-10-21(18)32-15-5-8-23(30)33-17-22(29)27-11-13-28(14-12-27)24(31)26-20-6-3-2-4-7-20/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3,(H,26,31)