methyl (3S)-3-(4-fluorophenyl)-2,2-dimethyl-3-[(4-methyl-2-oxidanyl-phenyl)amino]propanoate

Systemtic Name: methyl (3S)-3-(4-fluorophenyl)-2,2-dimethyl-3-[(4-methyl-2-oxidanyl-phenyl)amino]propanoate Openeye Name: methyl (3S)-3-(4-fluorophenyl)-3-(2-hydroxy-4-methyl-anilino)-2,2-dimethyl-propanoate CAS Name: (3S)-3-(4-fluorophenyl)-3-(2-hydroxy-4-methylanilino)-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-fluorophenyl)-3-(2-hydroxy-4-methylanilino)-2,2-dimethylpropanoate Traditional Name: (3S)-3-(4-fluorophenyl)-3-(2-hydroxy-4-methyl-anilino)-2,2-dimethyl-propionic acid methyl ester Formula: C19H22FNO3 MolecularWeight: 331.381283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)N[C@@H](C2=CC=C(C=C2)F)C(C)(C)C(=O)OC)O

InChI

InChI=1S/C19H22FNO3/c1-12-5-10-15(16(22)11-12)21-17(19(2,3)18(23)24-4)13-6-8-14(20)9-7-13/h5-11,17,21-22H,1-4H3/t17-/m0/s1