N-[2-[[(3S,4S)-4-ethoxy-1-[4-(4-methylphenyl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-(4-methylphenyl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(p-tolyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(4-methylphenyl)cyclohexyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(4-methylphenyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(p-tolyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C29H36F3N3O4 MolecularWeight: 547.60905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CC1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC=C(C=C4)C)O

Isomeric SMILES

CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC=C(C=C4)C)O

InChI

InChI=1S/C29H36F3N3O4/c1-3-39-25-18-35(23-11-13-28(38,14-12-23)21-9-7-19(2)8-10-21)17-24(25)34-26(36)16-33-27(37)20-5-4-6-22(15-20)29(30,31)32/h4-10,15,23-25,38H,3,11-14,16-18H2,1-2H3,(H,33,37)(H,34,36)/t23?,24-,25-,28?/m0/s1