methyl 3-(5-bromanyl-3-methoxy-1,2,4-triazol-1-yl)-2-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-(5-bromanyl-3-methoxy-1,2,4-triazol-1-yl)-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl 2-(benzylamino)-3-(5-bromo-3-methoxy-1,2,4-triazol-1-yl)propanoate CAS Name: 3-(5-bromo-3-methoxy-1,2,4-triazol-1-yl)-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-(5-bromo-3-methoxy-1,2,4-triazol-1-yl)propanoate Traditional Name: 2-(benzylamino)-3-(5-bromo-3-methoxy-1,2,4-triazol-1-yl)propionic acid methyl ester Formula: C14H17BrN4O3 MolecularWeight: 369.21378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=N1)Br)CC(C(=O)OC)NCC2=CC=CC=C2

Isomeric SMILES

COC1=NN(C(=N1)Br)CC(C(=O)OC)NCC2=CC=CC=C2

InChI

InChI=1S/C14H17BrN4O3/c1-21-12(20)11(16-8-10-6-4-3-5-7-10)9-19-13(15)17-14(18-19)22-2/h3-7,11,16H,8-9H2,1-2H3