2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-3-methyl-butanoic acid

Systemtic Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-3-methyl-butanoic acid Openeye Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-3-methyl-butanoic acid CAS Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-3-methylbutanoic acid IUPAC Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-3-methylbutanoic acid Traditional Name: 2-carbethoxy-2-[2-(4-heptoxyphenyl)ethyl]-3-methyl-butyric acid Formula: C23H36O5 MolecularWeight: 392.52894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O5/c1-5-7-8-9-10-17-28-20-13-11-19(12-14-20)15-16-23(18(3)4,21(24)25)22(26)27-6-2/h11-14,18H,5-10,15-17H2,1-4H3,(H,24,25)