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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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