methyl 1-[benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl 1-[benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: 1-[1-benzotriazolyl-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-[benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(N2C(CCC2=O)C(=O)OC)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(N2C(CCC2=O)C(=O)OC)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H24N4O6/c1-29-17-11-13(12-18(30-2)20(17)31-3)21(25-16(22(28)32-4)9-10-19(25)27)26-15-8-6-5-7-14(15)23-24-26/h5-8,11-12,16,21H,9-10H2,1-4H3