[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O5/c1-27-19-9-8-18(14-20(19)28-2)22(26)29-16-21(25)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3