4-[4-[[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]amino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]amino]methyl]phenoxy]butanoic acid Openeye Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-[(6,6-dimethylnorpinan-2-yl)methyl]amino]methyl]phenoxy]butanoic acid CAS Name: 4-[4-[[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]amino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]amino]methyl]phenoxy]butanoic acid Traditional Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl-[(6,6-dimethylnorpinan-2-yl)methyl]amino]methyl]phenoxy]butyric acid Formula: C29H34ClF3N2O4 MolecularWeight: 567.03947

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1C2)CN(CC3=CC=C(C=C3)OCCCC(=O)O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C

Isomeric SMILES

CC1(C2CCC(C1C2)CN(CC3=CC=C(C=C3)OCCCC(=O)O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C

InChI

InChI=1S/C29H34ClF3N2O4/c1-28(2)20-8-7-19(23(28)14-20)17-35(16-18-5-10-22(11-6-18)39-13-3-4-26(36)37)27(38)34-21-9-12-25(30)24(15-21)29(31,32)33/h5-6,9-12,15,19-20,23H,3-4,7-8,13-14,16-17H2,1-2H3,(H,34,38)(H,36,37)