[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CCCOC2=CC=CC=C2)Br

InChI

InChI=1S/C20H22BrNO4/c1-14-10-11-18(17(21)13-14)22-20(24)15(2)26-19(23)9-6-12-25-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12H2,1-2H3,(H,22,24)/t15-/m0/s1