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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OCC

InChI

InChI=1S/C24H29ClN2O5/c1-3-14-31-23-20(25)15-18(16-21(23)30-4-2)24(29)32-17-22(28)27-12-10-26(11-13-27)19-8-6-5-7-9-19/h5-9,15-16H,3-4,10-14,17H2,1-2H3