2-[1-[bis(4-methoxyphenyl)-phenyl-methoxy]-6-cyano-hexyl]propanedioic acid

Systemtic Name: 2-[1-[bis(4-methoxyphenyl)-phenyl-methoxy]-6-cyano-hexyl]propanedioic acid Openeye Name: 2-[1-[bis(4-methoxyphenyl)-phenyl-methoxy]-6-cyano-hexyl]propanedioic acid CAS Name: 2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-6-cyanohexyl]propanedioic acid IUPAC Name: 2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-6-cyanohexyl]propanedioic acid Traditional Name: 2-[1-[bis(4-methoxyphenyl)-phenyl-methoxy]-6-cyano-hexyl]malonic acid Formula: C31H33NO7 MolecularWeight: 531.59622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC(CCCCCC#N)C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC(CCCCCC#N)C(C(=O)O)C(=O)O

InChI

InChI=1S/C31H33NO7/c1-37-25-17-13-23(14-18-25)31(22-10-6-5-7-11-22,24-15-19-26(38-2)20-16-24)39-27(12-8-3-4-9-21-32)28(29(33)34)30(35)36/h5-7,10-11,13-20,27-28H,3-4,8-9,12H2,1-2H3,(H,33,34)(H,35,36)