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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(3-methylphenoxy)propanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] (2S)-2-(3-methylphenoxy)propanoate CAS Name: (2S)-2-(3-methylphenoxy)propanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] (2S)-2-(3-methylphenoxy)propanoate Traditional Name: (2S)-2-(3-methylphenoxy)propionic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C19H20BrNO4/c1-12-5-4-6-16(9-12)25-14(3)19(23)24-11-18(22)21-17-8-7-15(20)10-13(17)2/h4-10,14H,11H2,1-3H3,(H,21,22)/t14-/m0/s1