[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O5/c1-3-29-20-10-9-19(15-21(20)28-2)23(27)30-17-22(26)25-13-11-24(12-14-25)16-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3