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

Systemtic Name: methyl 3-[5-methyl-2-[(2R)-1-(2-phenoxyethanoyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)-2-piperidyl]thiazol-4-yl]benzoate CAS Name: 3-[5-methyl-2-[(2R)-1-(1-oxo-2-phenoxyethyl)-2-piperidinyl]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate Traditional Name: 3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)-2-piperidyl]thiazol-4-yl]benzoic acid methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S/c1-17-23(18-9-8-10-19(15-18)25(29)30-2)26-24(32-17)21-13-6-7-14-27(21)22(28)16-31-20-11-4-3-5-12-20/h3-5,8-12,15,21H,6-7,13-14,16H2,1-2H3/t21-/m1/s1