4-(4-heptoxy-3-methoxy-phenyl)-2-methoxycarbonyl-2-methyl-butanoic acid

Systemtic Name: 4-(4-heptoxy-3-methoxy-phenyl)-2-methoxycarbonyl-2-methyl-butanoic acid Openeye Name: 4-(4-heptoxy-3-methoxy-phenyl)-2-methoxycarbonyl-2-methyl-butanoic acid CAS Name: 4-(4-heptoxy-3-methoxyphenyl)-2-methoxycarbonyl-2-methylbutanoic acid IUPAC Name: 4-(4-heptoxy-3-methoxyphenyl)-2-methoxycarbonyl-2-methylbutanoic acid Traditional Name: 2-carbomethoxy-4-(4-heptoxy-3-methoxy-phenyl)-2-methyl-butyric acid Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CCC(C)(C(=O)O)C(=O)OC)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CCC(C)(C(=O)O)C(=O)OC)OC

InChI

InChI=1S/C21H32O6/c1-5-6-7-8-9-14-27-17-11-10-16(15-18(17)25-3)12-13-21(2,19(22)23)20(24)26-4/h10-11,15H,5-9,12-14H2,1-4H3,(H,22,23)