[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C23H28N2O4/c1-4-28-20-10-8-19(9-11-20)23(27)29-16-22(26)25-14-12-24(13-15-25)21-7-5-6-17(2)18(21)3/h5-11H,4,12-16H2,1-3H3