ethyl 2-[[1-[(1R,3S)-3-propan-2-yl-3-[[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]carbonyl]cyclopentyl]piperidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[1-[(1R,3S)-3-propan-2-yl-3-[[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]carbonyl]cyclopentyl]piperidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[1-[(1R,3S)-3-isopropyl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-4-piperidyl]amino]acetate CAS Name: 2-[[1-[(1R,3S)-3-[oxo-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methyl]-3-propan-2-ylcyclopentyl]-4-piperidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]amino]acetate Traditional Name: 2-[[1-[(1R,3S)-3-isopropyl-3-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]cyclopentyl]-4-piperidyl]amino]acetic acid ethyl ester Formula: C27H38F3N3O4 MolecularWeight: 525.60353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1CCN(CC1)C2CCC(C2)(C(C)C)C(=O)N3CC4=C(C=CC(=C4)C(F)(F)F)OC3

Isomeric SMILES

CCOC(=O)CNC1CCN(CC1)[C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CC4=C(C=CC(=C4)C(F)(F)F)OC3

InChI

InChI=1S/C27H38F3N3O4/c1-4-36-24(34)15-31-21-8-11-32(12-9-21)22-7-10-26(14-22,18(2)3)25(35)33-16-19-13-20(27(28,29)30)5-6-23(19)37-17-33/h5-6,13,18,21-22,31H,4,7-12,14-17H2,1-3H3/t22-,26+/m1/s1