methyl (2S)-2-(benzotriazol-1-ylmethylamino)-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-(benzotriazol-1-ylmethylamino)-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-(benzotriazol-1-ylmethylamino)-2-phenyl-acetate CAS Name: (2S)-2-(1-benzotriazolylmethylamino)-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-(benzotriazol-1-ylmethylamino)-2-phenylacetate Traditional Name: (2S)-2-(benzotriazol-1-ylmethylamino)-2-phenyl-acetic acid methyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NCN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H16N4O2/c1-22-16(21)15(12-7-3-2-4-8-12)17-11-20-14-10-6-5-9-13(14)18-19-20/h2-10,15,17H,11H2,1H3/t15-/m0/s1