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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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