3-[1-[(1R,3S)-3-[(1R)-1-oxidanylethyl]-3-[[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid

Systemtic Name: 3-[1-[(1R,3S)-3-[(1R)-1-oxidanylethyl]-3-[[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid Openeye Name: 3-[1-[(1R,3S)-3-[(1R)-1-hydroxyethyl]-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-4-piperidyl]benzoic acid CAS Name: 3-[1-[(1R,3S)-3-[(1R)-1-hydroxyethyl]-3-[oxo-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methyl]cyclopentyl]-4-piperidinyl]benzoic acid IUPAC Name: 3-[1-[(1R,3S)-3-[(1R)-1-hydroxyethyl]-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid Traditional Name: 3-[1-[(1R,3S)-3-[(1R)-1-hydroxyethyl]-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-4-piperidyl]benzoic acid Formula: C29H33F3N2O5 MolecularWeight: 546.57793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCC(C1)N2CCC(CC2)C3=CC=CC(=C3)C(=O)O)C(=O)N4CC5=C(C=CC(=C5)C(F)(F)F)OC4)O

Isomeric SMILES

C[C@H]([C@@]1(CC[C@H](C1)N2CCC(CC2)C3=CC=CC(=C3)C(=O)O)C(=O)N4CC5=C(C=CC(=C5)C(F)(F)F)OC4)O

InChI

InChI=1S/C29H33F3N2O5/c1-18(35)28(27(38)34-16-22-14-23(29(30,31)32)5-6-25(22)39-17-34)10-7-24(15-28)33-11-8-19(9-12-33)20-3-2-4-21(13-20)26(36)37/h2-6,13-14,18-19,24,35H,7-12,15-17H2,1H3,(H,36,37)/t18-,24-,28+/m1/s1