(phenylmethyl) 2-[(1-azanyl-2-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 2-[(1-azanyl-2-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyridine-3-carboxylate Openeye Name: benzyl 2-[(1-carbamoyl-1-methyl-propyl)carbamoyl]pyridine-3-carboxylate CAS Name: 2-[[(1-amino-2-methyl-1-oxobutan-2-yl)amino]-oxomethyl]-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-amino-2-methyl-1-oxobutan-2-yl)carbamoyl]pyridine-3-carboxylate Traditional Name: 2-[(1-carbamoyl-1-methyl-propyl)carbamoyl]nicotinic acid benzyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)N)NC(=O)C1=C(C=CC=N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C(=O)N)NC(=O)C1=C(C=CC=N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O4/c1-3-19(2,18(20)25)22-16(23)15-14(10-7-11-21-15)17(24)26-12-13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3,(H2,20,25)(H,22,23)