6-[(3,5-ditert-butylphenyl)carbamoyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(3,5-ditert-butylphenyl)carbamoyl]pyridine-3-carboxylic acid Openeye Name: 6-[(3,5-ditert-butylphenyl)carbamoyl]pyridine-3-carboxylic acid CAS Name: 6-[(3,5-ditert-butylanilino)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(3,5-ditert-butylphenyl)carbamoyl]pyridine-3-carboxylic acid Traditional Name: 6-[(3,5-ditert-butylphenyl)carbamoyl]nicotinic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-20(2,3)14-9-15(21(4,5)6)11-16(10-14)23-18(24)17-8-7-13(12-22-17)19(25)26/h7-12H,1-6H3,(H,23,24)(H,25,26)