[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C24H29ClN2O5 MolecularWeight: 460.95046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H29ClN2O5/c1-17(2)15-31-23-20(25)13-18(14-21(23)30-3)24(29)32-16-22(28)27-11-9-26(10-12-27)19-7-5-4-6-8-19/h4-8,13-14,17H,9-12,15-16H2,1-3H3