3-methylbutyl 4-(pyridin-4-ylcarbonylamino)benzoate

Systemtic Name: 3-methylbutyl 4-(pyridin-4-ylcarbonylamino)benzoate Openeye Name: isopentyl 4-(pyridine-4-carbonylamino)benzoate CAS Name: 4-[[oxo(pyridin-4-yl)methyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(pyridine-4-carbonylamino)benzoate Traditional Name: 4-isonicotinamidobenzoic acid isoamyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-13(2)9-12-23-18(22)15-3-5-16(6-4-15)20-17(21)14-7-10-19-11-8-14/h3-8,10-11,13H,9,12H2,1-2H3,(H,20,21)