[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H22N4O3/c1-17(23(29)25-15-18-7-3-2-4-8-18)31-24(30)20-13-11-19(12-14-20)16-28-22-10-6-5-9-21(22)26-27-28/h2-14,17H,15-16H2,1H3,(H,25,29)/t17-/m0/s1