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

Systemtic Name: ethyl 11-(4-methylphenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate Openeye Name: ethyl 11-(4-methylbenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate CAS Name: 11-[(4-methylphenyl)-oxomethyl]-9-pyrrolo[1,2-a][1,10]phenanthrolinecarboxylic acid ethyl ester IUPAC Name: ethyl 11-(4-methylbenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate Traditional Name: 11-p-toluoylpyrrolo[1,2-a][1,10]phenanthroline-9-carboxylic acid ethyl ester Formula: C26H20N2O3 MolecularWeight: 408.4486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O3/c1-3-31-26(30)20-15-22(25(29)19-8-6-16(2)7-9-19)28-21(20)13-12-18-11-10-17-5-4-14-27-23(17)24(18)28/h4-15H,3H2,1-2H3