[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(2,6-dimethylphenyl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(2,6-dimethylphenyl)carbamoyl]propyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)OC(=O)C2=CC=NC=C2

InChI

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