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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)C(C(C2=CC(=CC=C2)C(F)(F)F)O)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)C(C(C2=CC(=CC=C2)C(F)(F)F)O)N

InChI

InChI=1S/C20H22F3NO3/c1-12(10-13-6-8-14(9-7-13)19(26)27-2)17(24)18(25)15-4-3-5-16(11-15)20(21,22)23/h3-9,11-12,17-18,25H,10,24H2,1-2H3