methyl 4-[[[3-(aminocarbonylamino)-3-(3-bromophenyl)propanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(aminocarbonylamino)-3-(3-bromophenyl)propanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[3-(3-bromophenyl)-3-ureido-propanoyl]amino]methyl]benzoate CAS Name: 4-[[[3-(3-bromophenyl)-3-(carbamoylamino)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(3-bromophenyl)-3-(carbamoylamino)propanoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(3-bromophenyl)-3-ureido-propanoyl]amino]methyl]benzoic acid methyl ester Formula: C19H20BrN3O4 MolecularWeight: 434.2838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CC(C2=CC(=CC=C2)Br)NC(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CC(C2=CC(=CC=C2)Br)NC(=O)N

InChI

InChI=1S/C19H20BrN3O4/c1-27-18(25)13-7-5-12(6-8-13)11-22-17(24)10-16(23-19(21)26)14-3-2-4-15(20)9-14/h2-9,16H,10-11H2,1H3,(H,22,24)(H3,21,23,26)