2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-methyl-butanoic acid

Systemtic Name: 2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-methyl-butanoic acid Openeye Name: 2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-methyl-butanoic acid CAS Name: 2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-methylbutanoic acid IUPAC Name: 2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-methylbutanoic acid Traditional Name: 2-carbethoxy-4-(4-heptoxyphenyl)-2-methyl-butyric acid Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O5/c1-4-6-7-8-9-16-26-18-12-10-17(11-13-18)14-15-21(3,19(22)23)20(24)25-5-2/h10-13H,4-9,14-16H2,1-3H3,(H,22,23)