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

Systemtic Name: methyl (2S)-2-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-(2-bromophenyl)-4-triazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(2-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)C(CC1=CC=CC=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C19H17BrN4O3/c1-27-19(26)15(11-13-7-3-2-4-8-13)21-18(25)16-12-24(23-22-16)17-10-6-5-9-14(17)20/h2-10,12,15H,11H2,1H3,(H,21,25)/t15-/m0/s1