[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(3,5-dimethylphenyl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(3,5-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,5-dimethylanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(3,5-dimethylphenyl)carbamoyl]propyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C)C)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C)C)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C18H20N2O3/c1-4-16(23-18(22)14-5-7-19-8-6-14)17(21)20-15-10-12(2)9-13(3)11-15/h5-11,16H,4H2,1-3H3,(H,20,21)