methyl 2-[(3-cyanophenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C24H28N4O3/c1-17(22(24(30)31-2)15-18-4-3-5-19(14-18)16-25)27-23(29)20-8-12-28(13-9-20)21-6-10-26-11-7-21/h3-7,10-11,14,17,20,22H,8-9,12-13,15H2,1-2H3,(H,27,29)