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

Systemtic Name: methyl 4-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]acetyl]amino]butanoate CAS Name: 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]butanoate Traditional Name: 4-[[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]acetyl]amino]butyric acid methyl ester Formula: C17H24BrN3O4 MolecularWeight: 414.29416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O4/c1-12-9-13(18)6-7-14(12)20-16(23)11-21(2)10-15(22)19-8-4-5-17(24)25-3/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,19,22)(H,20,23)