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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C(=O)O)NC2=NC=C(S2)C3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1CCN(C(C1)(C(=O)O)NC2=NC=C(S2)C3=CC=CC=C3)CC4=CC=NC=C4

InChI

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