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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic 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-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H27ClN2O5 MolecularWeight: 446.92388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H27ClN2O5/c1-16(2)31-22-19(24)13-17(14-20(22)29-3)23(28)30-15-21(27)26-11-9-25(10-12-26)18-7-5-4-6-8-18/h4-8,13-14,16H,9-12,15H2,1-3H3