2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-ethoxycarbonyloxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-ethoxycarbonyloxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-ethoxycarbonyloxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-ethoxycarbonyloxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-9-ethoxycarbonyl-3-ethoxycarbonyloxy-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Traditional Name: 9-carbethoxy-3-carbethoxyoxy-2-(4-chlorobenzyl)-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid Formula: C26H25ClN2O7 MolecularWeight: 512.9389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)OC(=O)OCC)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)OC(=O)OCC)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN2O7/c1-3-34-25(32)29-12-11-16-7-10-18-21(24(30)31)23(36-26(33)35-4-2)20(28-22(18)19(16)14-29)13-15-5-8-17(27)9-6-15/h5-10H,3-4,11-14H2,1-2H3,(H,30,31)