[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C)OC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](C)OC2=CC=CC=C2)Br

InChI

InChI=1S/C18H18BrNO4/c1-12-8-9-14(10-16(12)19)20-17(21)11-23-18(22)13(2)24-15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H,20,21)/t13-/m0/s1