[4-[9-(4-methanoylphenyl)-1,10-phenanthrolin-2-yl]phenyl]methyl propanoate

Systemtic Name: [4-[9-(4-methanoylphenyl)-1,10-phenanthrolin-2-yl]phenyl]methyl propanoate Openeye Name: [4-[9-(4-formylphenyl)-1,10-phenanthrolin-2-yl]phenyl]methyl propanoate CAS Name: propanoic acid [4-[9-(4-formylphenyl)-1,10-phenanthrolin-2-yl]phenyl]methyl ester IUPAC Name: [4-[9-(4-formylphenyl)-1,10-phenanthrolin-2-yl]phenyl]methyl propanoate Traditional Name: propionic acid [4-[9-(4-formylphenyl)-1,10-phenanthrolin-2-yl]benzyl] ester Formula: C29H22N2O3 MolecularWeight: 446.49658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)C=O)C=C2

Isomeric SMILES

CCC(=O)OCC1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)C=O)C=C2

InChI

InChI=1S/C29H22N2O3/c1-2-27(33)34-18-20-5-9-22(10-6-20)26-16-14-24-12-11-23-13-15-25(30-28(23)29(24)31-26)21-7-3-19(17-32)4-8-21/h3-17H,2,18H2,1H3