2-[[1-(2,6-dimethylphenyl)-6-oxidanylidene-piperidin-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[1-(2,6-dimethylphenyl)-6-oxidanylidene-piperidin-3-yl]methyl]benzoic acid Openeye Name: 2-[[1-(2,6-dimethylphenyl)-6-oxo-3-piperidyl]methyl]benzoic acid CAS Name: 2-[[1-(2,6-dimethylphenyl)-6-oxo-3-piperidinyl]methyl]benzoic acid IUPAC Name: 2-[[1-(2,6-dimethylphenyl)-6-oxopiperidin-3-yl]methyl]benzoic acid Traditional Name: 2-[[1-(2,6-dimethylphenyl)-6-keto-3-piperidyl]methyl]benzoic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CC(CCC2=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CC(CCC2=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H23NO3/c1-14-6-5-7-15(2)20(14)22-13-16(10-11-19(22)23)12-17-8-3-4-9-18(17)21(24)25/h3-9,16H,10-13H2,1-2H3,(H,24,25)