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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=NC=C2)NC3=NC=C(S3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=NC=C2)NC3=NC=C(S3)C4=CC=CC=C4)C(=O)O

InChI

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