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

Systemtic Name: dimethyl 11-(4-methylphenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C4=C(C=CC5=C4N=CC=C5)C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C4=C(C=CC5=C4N=CC=C5)C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H20N2O5/c1-15-6-8-18(9-7-15)25(30)24-21(27(32)34-3)20(26(31)33-2)19-13-12-17-11-10-16-5-4-14-28-22(16)23(17)29(19)24/h4-14H,1-3H3