2-[[1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-[(4-chlorophenyl)methyl]piperidin-4-yl]-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoic acid

Systemtic Name: 2-[[1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-[(4-chlorophenyl)methyl]piperidin-4-yl]-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoic acid Openeye Name: 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidyl]-(2-methoxy-2-oxo-ethyl)amino]acetic acid CAS Name: 2-[[1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-(2-methoxy-2-oxoethyl)amino]acetic acid IUPAC Name: 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]-(2-methoxy-2-oxoethyl)amino]acetic acid Traditional Name: 2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-(4-chlorobenzyl)-4-piperidyl]-(2-keto-2-methoxy-ethyl)amino]acetic acid Formula: C26H25ClF6N2O5 MolecularWeight: 594.930519

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC(=O)O)C1CCN(C(C1)CC2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)CN(CC(=O)O)C1CCN(C(C1)CC2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H25ClF6N2O5/c1-40-23(38)14-34(13-22(36)37)20-6-7-35(21(12-20)8-15-2-4-19(27)5-3-15)24(39)16-9-17(25(28,29)30)11-18(10-16)26(31,32)33/h2-5,9-11,20-21H,6-8,12-14H2,1H3,(H,36,37)