4-[1-[(3,5-dimethylphenyl)methyl]-6-oxidanylidene-pyridin-2-yl]benzoic acid

Systemtic Name: 4-[1-[(3,5-dimethylphenyl)methyl]-6-oxidanylidene-pyridin-2-yl]benzoic acid Openeye Name: 4-[1-[(3,5-dimethylphenyl)methyl]-6-oxo-2-pyridyl]benzoic acid CAS Name: 4-[1-[(3,5-dimethylphenyl)methyl]-6-oxo-2-pyridinyl]benzoic acid IUPAC Name: 4-[1-[(3,5-dimethylphenyl)methyl]-6-oxopyridin-2-yl]benzoic acid Traditional Name: 4-[1-(3,5-dimethylbenzyl)-6-keto-2-pyridyl]benzoic acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(=O)C=CC=C2C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C(=O)C=CC=C2C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H19NO3/c1-14-10-15(2)12-16(11-14)13-22-19(4-3-5-20(22)23)17-6-8-18(9-7-17)21(24)25/h3-12H,13H2,1-2H3,(H,24,25)