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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-acetamidobenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-16(25)22-18-7-5-6-17(14-18)21(27)28-15-20(26)24-12-10-23(11-13-24)19-8-3-2-4-9-19/h2-9,14H,10-13,15H2,1H3,(H,22,25)