2-[[3-chloranyl-4-(trifluoromethyl)phenyl]-phenylmethoxycarbonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-chloranyl-4-(trifluoromethyl)phenyl]-phenylmethoxycarbonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[N-benzyloxycarbonyl-3-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoic acid CAS Name: 2-[3-chloro-N-phenylmethoxycarbonyl-4-(trifluoromethyl)anilino]-3-methylbutanoic acid IUPAC Name: 2-[3-chloro-N-phenylmethoxycarbonyl-4-(trifluoromethyl)anilino]-3-methylbutanoic acid Traditional Name: 2-[N-carbobenzoxy-3-chloro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid Formula: C20H19ClF3NO4 MolecularWeight: 429.81737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C1=CC(=C(C=C1)C(F)(F)F)Cl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)N(C1=CC(=C(C=C1)C(F)(F)F)Cl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H19ClF3NO4/c1-12(2)17(18(26)27)25(19(28)29-11-13-6-4-3-5-7-13)14-8-9-15(16(21)10-14)20(22,23)24/h3-10,12,17H,11H2,1-2H3,(H,26,27)