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

Systemtic Name: 4-[4-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(N-methylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(N-methylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-keto-2-(N-methylanilino)ethyl]piperazino]benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H23N3O3/c1-21(17-5-3-2-4-6-17)19(24)15-22-11-13-23(14-12-22)18-9-7-16(8-10-18)20(25)26/h2-10H,11-15H2,1H3,(H,25,26)