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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

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