2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]propanedioic acid

Systemtic Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]propanedioic acid Openeye Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]propanedioic acid CAS Name: 2-[(1R,2R)-2-(1-benzotriazolyl)-1,2-diphenylethyl]propanedioic acid IUPAC Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenylethyl]propanedioic acid Traditional Name: 2-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-diphenyl-ethyl]malonic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H19N3O4/c27-22(28)20(23(29)30)19(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)26-18-14-8-7-13-17(18)24-25-26/h1-14,19-21H,(H,27,28)(H,29,30)/t19-,21-/m0/s1