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

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)COC(=O)CCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)COC(=O)CCC(C)C

InChI

InChI=1S/C18H25BrN2O4/c1-12(2)5-8-18(24)25-11-17(23)21(4)10-16(22)20-15-7-6-14(19)9-13(15)3/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,20,22)