4-[4-[2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(N-benzylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-oxo-2-(N-(phenylmethyl)anilino)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(N-benzylanilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H27N3O3/c30-25(29(24-9-5-2-6-10-24)19-21-7-3-1-4-8-21)20-27-15-17-28(18-16-27)23-13-11-22(12-14-23)26(31)32/h1-14H,15-20H2,(H,31,32)