3-[5-methyl-2-[(2R)-1-(2-phenoxyethanoyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 3-[5-methyl-2-[(2R)-1-(2-phenoxyethanoyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)-2-piperidyl]thiazol-4-yl]benzoic acid CAS Name: 3-[5-methyl-2-[(2R)-1-(1-oxo-2-phenoxyethyl)-2-piperidinyl]-4-thiazolyl]benzoic acid IUPAC Name: 3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)-2-piperidyl]thiazol-4-yl]benzoic acid Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2CCCCN2C(=O)COC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(N=C(S1)[C@H]2CCCCN2C(=O)COC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C24H24N2O4S/c1-16-22(17-8-7-9-18(14-17)24(28)29)25-23(31-16)20-12-5-6-13-26(20)21(27)15-30-19-10-3-2-4-11-19/h2-4,7-11,14,20H,5-6,12-13,15H2,1H3,(H,28,29)/t20-/m1/s1