methyl 3-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(3-bromophenyl)triazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(3-bromophenyl)-4-triazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(3-bromophenyl)triazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(3-bromophenyl)triazole-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H17BrN4O3/c1-27-18(25)11-16(13-6-3-2-4-7-13)21-19(26)17-12-24(23-22-17)15-9-5-8-14(20)10-15/h2-10,12,16H,11H2,1H3,(H,21,26)