diethyl 2-[[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)phenyl]methyl]propanedioate CAS Name: 2-[[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)phenyl]methyl]propanedioate Traditional Name: 2-[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)benzyl]malonic acid diethyl ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)OC)C2=NC3=C(C=CC4=C3N=CC=C4)C=C2)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)OC)C2=NC3=C(C=CC4=C3N=CC=C4)C=C2)OC)C(=O)OCC

InChI

InChI=1S/C28H28N2O6/c1-5-35-27(31)20(28(32)36-6-2)14-17-15-22(33-3)24(23(16-17)34-4)21-12-11-19-10-9-18-8-7-13-29-25(18)26(19)30-21/h7-13,15-16,20H,5-6,14H2,1-4H3