O3-methyl O1,O2-bis(phenylmethyl) 9H-pyridazino[3,4-b]indole-1,2,3-tricarboxylate

Systemtic Name: O3-methyl O1,O2-bis(phenylmethyl) 9H-pyridazino[3,4-b]indole-1,2,3-tricarboxylate Openeye Name: O1,O2-dibenzyl O3-methyl 9H-pyridazino[3,4-b]indole-1,2,3-tricarboxylate CAS Name: 9H-pyridazino[3,4-b]indole-1,2,3-tricarboxylic acid O3-methyl ester O1,O2-bis(phenylmethyl) ester IUPAC Name: 1-O,2-O-dibenzyl 3-O-methyl 9H-pyridazino[3,4-b]indole-1,2,3-tricarboxylate Traditional Name: 9H-pyridazin[3,4-b]indole-1,2,3-tricarboxylic acid O1,O2-dibenzyl ester O3-methyl ester Formula: C28H23N3O6 MolecularWeight: 497.49872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(NC3=CC=CC=C32)N(N1C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(NC3=CC=CC=C32)N(N1C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O6/c1-35-26(32)24-16-22-21-14-8-9-15-23(21)29-25(22)31(28(34)37-18-20-12-6-3-7-13-20)30(24)27(33)36-17-19-10-4-2-5-11-19/h2-16,29H,17-18H2,1H3