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

Systemtic Name: dipropan-2-yl 11-(4-methylphenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 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 diisopropyl ester Formula: C31H28N2O5 MolecularWeight: 508.56442

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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)C)C(=O)OC(C)C

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)C)C(=O)OC(C)C

InChI

InChI=1S/C31H28N2O5/c1-17(2)37-30(35)24-23-15-14-21-13-12-20-7-6-16-32-26(20)27(21)33(23)28(25(24)31(36)38-18(3)4)29(34)22-10-8-19(5)9-11-22/h6-18H,1-5H3