methyl 4-[1,3-bis(benzotriazol-1-yl)-1,3-dihydroisoindol-2-yl]benzoate

Systemtic Name: methyl 4-[1,3-bis(benzotriazol-1-yl)-1,3-dihydroisoindol-2-yl]benzoate Openeye Name: methyl 4-[1,3-bis(benzotriazol-1-yl)isoindolin-2-yl]benzoate CAS Name: 4-[1,3-bis(1-benzotriazolyl)-1,3-dihydroisoindol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-bis(benzotriazol-1-yl)-1,3-dihydroisoindol-2-yl]benzoate Traditional Name: 4-[1,3-bis(benzotriazol-1-yl)isoindolin-2-yl]benzoic acid methyl ester Formula: C28H21N7O2 MolecularWeight: 487.51204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(C3=CC=CC=C3C2N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(C3=CC=CC=C3C2N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6

InChI

InChI=1S/C28H21N7O2/c1-37-28(36)18-14-16-19(17-15-18)33-26(34-24-12-6-4-10-22(24)29-31-34)20-8-2-3-9-21(20)27(33)35-25-13-7-5-11-23(25)30-32-35/h2-17,26-27H,1H3