2-(cyclopropylmethyl)-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid

Systemtic Name: 2-(cyclopropylmethyl)-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid Openeye Name: 2-(cyclopropylmethyl)-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid CAS Name: 2-(cyclopropylmethyl)-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid IUPAC Name: 2-(cyclopropylmethyl)-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid Traditional Name: 2-(cyclopropylmethyl)-2-[2-(4-heptoxyphenyl)ethyl]malonic acid Formula: C22H32O5 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CC2CC2)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CC2CC2)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H32O5/c1-2-3-4-5-6-15-27-19-11-9-17(10-12-19)13-14-22(20(23)24,21(25)26)16-18-7-8-18/h9-12,18H,2-8,13-16H2,1H3,(H,23,24)(H,25,26)