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

Systemtic Name: ethyl 4-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]propanoylamino]benzoate CAS Name: 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanoylamino]benzoate Traditional Name: 4-[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]propanoylamino]benzoic acid ethyl ester Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N(C)CC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N(C)CC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C22H26BrN3O4/c1-5-30-22(29)16-6-9-18(10-7-16)24-21(28)15(3)26(4)13-20(27)25-19-11-8-17(23)12-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,24,28)(H,25,27)