bis(phenylmethyl) 3,4-dimethylpyrrolo[3,2-f]indole-2,6-dicarboxylate

Systemtic Name: bis(phenylmethyl) 3,4-dimethylpyrrolo[3,2-f]indole-2,6-dicarboxylate Openeye Name: dibenzyl 3,4-dimethylpyrrolo[3,2-f]indole-2,6-dicarboxylate CAS Name: 3,4-dimethylpyrrolo[3,2-f]indole-2,6-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 3,4-dimethylpyrrolo[3,2-f]indole-2,6-dicarboxylate Traditional Name: 3,4-dimethylpyrrol[3,2-f]indole-2,6-dicarboxylic acid dibenzyl ester Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(N=C2C=C3C1=CC(=N3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C2C(=C(N=C2C=C3C1=CC(=N3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C28H22N2O4/c1-17-21-13-24(27(31)33-15-19-9-5-3-6-10-19)29-22(21)14-23-25(17)18(2)26(30-23)28(32)34-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3