methyl 4-[2-azanyl-3-methyl-1-oxidanyl-1-[3-(trifluoromethyl)phenyl]butyl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-methyl-1-oxidanyl-1-[3-(trifluoromethyl)phenyl]butyl]benzoate Openeye Name: methyl 4-[2-amino-1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]benzoate CAS Name: 4-[2-amino-1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]benzoate Traditional Name: 4-[2-amino-1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]benzoic acid methyl ester Formula: C20H22F3NO3 MolecularWeight: 381.38879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=C(C=C1)C(=O)OC)(C2=CC(=CC=C2)C(F)(F)F)O)N

Isomeric SMILES

CC(C)C(C(C1=CC=C(C=C1)C(=O)OC)(C2=CC(=CC=C2)C(F)(F)F)O)N

InChI

InChI=1S/C20H22F3NO3/c1-12(2)17(24)19(26,14-9-7-13(8-10-14)18(25)27-3)15-5-4-6-16(11-15)20(21,22)23/h4-12,17,26H,24H2,1-3H3