1-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-[(5-phenylthiazol-2-yl)amino]-4-pyridyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-[(5-phenyl-2-thiazolyl)amino]-4-pyridinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-[(5-phenylthiazol-2-yl)amino]-4-pyridyl]methyl]isonipecotic acid Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=NC=C2)NC3=NC=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=NC=C2)NC3=NC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-20(27)17-7-10-25(11-8-17)14-15-6-9-22-19(12-15)24-21-23-13-18(28-21)16-4-2-1-3-5-16/h1-6,9,12-13,17H,7-8,10-11,14H2,(H,26,27)(H,22,23,24)