2-(2-carboxy-3-phenylmethoxycarbonyl-phenyl)-2-heptyl-propanedioic acid

Systemtic Name: 2-(2-carboxy-3-phenylmethoxycarbonyl-phenyl)-2-heptyl-propanedioic acid Openeye Name: 2-(3-benzyloxycarbonyl-2-carboxy-phenyl)-2-heptyl-propanedioic acid CAS Name: 2-(2-carboxy-3-phenylmethoxycarbonylphenyl)-2-heptylpropanedioic acid IUPAC Name: 2-(2-carboxy-3-phenylmethoxycarbonylphenyl)-2-heptylpropanedioic acid Traditional Name: 2-(3-carbobenzoxy-2-carboxy-phenyl)-2-heptyl-malonic acid Formula: C25H28O8 MolecularWeight: 456.48502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=CC(=C1C(=O)O)C(=O)OCC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(C1=CC=CC(=C1C(=O)O)C(=O)OCC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C25H28O8/c1-2-3-4-5-9-15-25(23(29)30,24(31)32)19-14-10-13-18(20(19)21(26)27)22(28)33-16-17-11-7-6-8-12-17/h6-8,10-14H,2-5,9,15-16H2,1H3,(H,26,27)(H,29,30)(H,31,32)