[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-butoxy-3-methoxy-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H32N2O5/c1-4-5-17-31-22-12-11-20(18-23(22)30-3)25(29)32-19(2)24(28)27-15-13-26(14-16-27)21-9-7-6-8-10-21/h6-12,18-19H,4-5,13-17H2,1-3H3