methyl 3-(2H-benzotriazol-5-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: methyl 3-(2H-benzotriazol-5-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: methyl 3-(2H-benzotriazole-5-carbonylamino)-3-phenyl-propanoate CAS Name: 3-[[2H-benzotriazol-5-yl(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate Traditional Name: 3-(2H-benzotriazole-5-carbonylamino)-3-phenyl-propionic acid methyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=NNN=C3C=C2

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=NNN=C3C=C2

InChI

InChI=1S/C17H16N4O3/c1-24-16(22)10-14(11-5-3-2-4-6-11)18-17(23)12-7-8-13-15(9-12)20-21-19-13/h2-9,14H,10H2,1H3,(H,18,23)(H,19,20,21)