2-[4-[[6-(pyridin-3-ylmethylcarbamoyl)-1,4-dihydropyridin-2-yl]carbonyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[[6-(pyridin-3-ylmethylcarbamoyl)-1,4-dihydropyridin-2-yl]carbonyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[6-(3-pyridylmethylcarbamoyl)-1,4-dihydropyridine-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[oxo-[6-[oxo-(3-pyridinylmethylamino)methyl]-1,4-dihydropyridin-2-yl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[6-(pyridin-3-ylmethylcarbamoyl)-1,4-dihydropyridine-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[6-(3-pyridylmethylcarbamoyl)-1,4-dihydropyridine-2-carbonyl]piperazino]acetic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CCC=C(N2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CCC=C(N2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H23N5O4/c25-17(26)13-23-7-9-24(10-8-23)19(28)16-5-1-4-15(22-16)18(27)21-12-14-3-2-6-20-11-14/h2-6,11,22H,1,7-10,12-13H2,(H,21,27)(H,25,26)