2-[4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide; (2R)-2-oxidanylbutanedioic acid

Systemtic Name: 2-[4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide; (2R)-2-oxidanylbutanedioic acid Openeye Name: 2-[4-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]-4-piperidyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide; (2R)-2-hydroxybutanedioic acid CAS Name: 2-[4-[(2R,4S)-1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide; (2R)-2-hydroxybutanedioic acid IUPAC Name: 2-[4-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide; (2R)-2-hydroxybutanedioic acid Traditional Name: 2-[4-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]-4-piperidyl]piperazino]-N-(2,6-dimethylphenyl)acetamide; (2R)-2-hydroxysuccinic acid Formula: C39H44F6N4O7 MolecularWeight: 794.779679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3CCN(C(C3)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)[C@H]3CCN([C@@H](C3)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.C([C@H](C(=O)O)O)C(=O)O

InChI

InChI=1S/C35H38F6N4O2.C4H6O5/c1-23-7-6-8-24(2)32(23)42-31(46)22-43-13-15-44(16-14-43)29-11-12-45(30(21-29)17-25-9-4-3-5-10-25)33(47)26-18-27(34(36,37)38)20-28(19-26)35(39,40)41;5-2(4(8)9)1-3(6)7/h3-10,18-20,29-30H,11-17,21-22H2,1-2H3,(H,42,46);2,5H,1H2,(H,6,7)(H,8,9)/t29-,30+;2-/m01/s1