[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3/c1-27(2)23(29)22(18-8-4-3-5-9-18)31-24(30)19-14-12-17(13-15-19)16-28-21-11-7-6-10-20(21)25-26-28/h3-15,22H,16H2,1-2H3/t22-/m1/s1