2-[(2-methyl-6-propan-2-yl-phenyl)amino]pyridine-4-carboxylic acid

Systemtic Name: 2-[(2-methyl-6-propan-2-yl-phenyl)amino]pyridine-4-carboxylic acid Openeye Name: 2-(2-isopropyl-6-methyl-anilino)pyridine-4-carboxylic acid CAS Name: 2-(2-methyl-6-propan-2-ylanilino)-4-pyridinecarboxylic acid IUPAC Name: 2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxylic acid Traditional Name: 2-(2-isopropyl-6-methyl-anilino)isonicotinic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC2=NC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H18N2O2/c1-10(2)13-6-4-5-11(3)15(13)18-14-9-12(16(19)20)7-8-17-14/h4-10H,1-3H3,(H,17,18)(H,19,20)