2-[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]butyl pyridine-3-carboxylate

Systemtic Name: 2-[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]butyl pyridine-3-carboxylate Openeye Name: 2-[benzyl(pyridine-3-carbonyl)amino]butyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[oxo(3-pyridinyl)methyl]-(phenylmethyl)amino]butyl ester IUPAC Name: 2-[benzyl(pyridine-3-carbonyl)amino]butyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[benzyl(nicotinoyl)amino]butyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(COC(=O)C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H23N3O3/c1-2-21(17-29-23(28)20-11-7-13-25-15-20)26(16-18-8-4-3-5-9-18)22(27)19-10-6-12-24-14-19/h3-15,21H,2,16-17H2,1H3