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

Systemtic Name: 4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-piperidin-1-yl-ethyl]benzoic acid Openeye Name: 4-[2-(4-methylanilino)-2-oxo-1-(1-piperidyl)ethyl]benzoic acid CAS Name: 4-[2-(4-methylanilino)-2-oxo-1-(1-piperidinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-methylanilino)-2-oxo-1-piperidin-1-ylethyl]benzoic acid Traditional Name: 4-[2-keto-1-piperidino-2-(p-toluidino)ethyl]benzoic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)C(=O)O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)C(=O)O)N3CCCCC3

InChI

InChI=1S/C21H24N2O3/c1-15-5-11-18(12-6-15)22-20(24)19(23-13-3-2-4-14-23)16-7-9-17(10-8-16)21(25)26/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)(H,25,26)