diethyl 11-(4-methylphenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate

Systemtic Name: diethyl 11-(4-methylphenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: diethyl 11-(4-methylbenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate CAS Name: 11-[(4-methylphenyl)-oxomethyl]pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylic acid diethyl ester IUPAC Name: diethyl 11-(4-methylbenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Traditional Name: 11-p-toluoylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylic acid diethyl ester Formula: C29H24N2O5 MolecularWeight: 480.51126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OCC)C(=O)C4=CC=C(C=C4)C)C5=C(C=CC=N5)C=C3

Isomeric SMILES

CCOC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OCC)C(=O)C4=CC=C(C=C4)C)C5=C(C=CC=N5)C=C3

InChI

InChI=1S/C29H24N2O5/c1-4-35-28(33)22-21-15-14-19-13-12-18-7-6-16-30-24(18)25(19)31(21)26(23(22)29(34)36-5-2)27(32)20-10-8-17(3)9-11-20/h6-16H,4-5H2,1-3H3