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

Systemtic Name: methyl 3-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4/c1-13-5-6-15(21(28)29-4)10-18(13)24-20(27)12-25(3)11-19(26)23-17-8-7-16(22)9-14(17)2/h5-10H,11-12H2,1-4H3,(H,23,26)(H,24,27)