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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-acetamidobenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-17(26)23-20-9-5-8-19(14-20)22(28)29-16-21(27)25-12-10-24(11-13-25)15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,26)