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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)NC2=NC=C(S2)C3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1CN(C(CC1C(=O)O)NC2=NC=C(S2)C3=CC=CC=C3)CC4=CC=NC=C4

InChI

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