3-[[4-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C29H36F3N3O4 MolecularWeight: 547.60905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

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