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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H24BrNO3/c1-4-14(2)20(16-8-6-5-7-9-16)21(25)26-13-19(24)23-18-11-10-17(22)12-15(18)3/h5-12,14,20H,4,13H2,1-3H3,(H,23,24)