[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C16H22BrN3O4 MolecularWeight: 400.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCCCNC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C16H22BrN3O4/c1-11-9-12(17)6-7-13(11)20-14(21)10-24-15(22)5-3-2-4-8-19-16(18)23/h6-7,9H,2-5,8,10H2,1H3,(H,20,21)(H3,18,19,23)