3-[2-[[1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H29ClF3NO4 MolecularWeight: 547.99307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C=CC(=C1)C(F)(F)F)Cl)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=C(C=CC(=C1)C(F)(F)F)Cl)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C29H29ClF3NO4/c1-18(2)14-26(24-16-21(29(31,32)33)11-12-25(24)30)34-28(37)23-15-19(8-9-20(23)10-13-27(35)36)17-38-22-6-4-3-5-7-22/h3-9,11-12,15-16,18,26H,10,13-14,17H2,1-2H3,(H,34,37)(H,35,36)