2-[(4-methylphenyl)methyl]-4-oxidanylidene-4-(pyridin-2-ylamino)butanoic acid

Systemtic Name: 2-[(4-methylphenyl)methyl]-4-oxidanylidene-4-(pyridin-2-ylamino)butanoic acid Openeye Name: 4-oxo-2-(p-tolylmethyl)-4-(2-pyridylamino)butanoic acid CAS Name: 2-[(4-methylphenyl)methyl]-4-oxo-4-(2-pyridinylamino)butanoic acid IUPAC Name: 2-[(4-methylphenyl)methyl]-4-oxo-4-(pyridin-2-ylamino)butanoic acid Traditional Name: 4-keto-2-(4-methylbenzyl)-4-(2-pyridylamino)butyric acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC(=O)NC2=CC=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC(=O)NC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C17H18N2O3/c1-12-5-7-13(8-6-12)10-14(17(21)22)11-16(20)19-15-4-2-3-9-18-15/h2-9,14H,10-11H2,1H3,(H,21,22)(H,18,19,20)