6-[(4-ethoxycarbonylphenyl)methyl]-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-heptanoic acid

Systemtic Name: 6-[(4-ethoxycarbonylphenyl)methyl]-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-heptanoic acid Openeye Name: 7-tert-butoxy-6-[(4-ethoxycarbonylphenyl)methyl]-7-oxo-heptanoic acid CAS Name: 6-[(4-ethoxycarbonylphenyl)methyl]-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid IUPAC Name: 6-[(4-ethoxycarbonylphenyl)methyl]-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid Traditional Name: 7-tert-butoxy-6-(4-carbethoxybenzyl)-7-keto-enanthic acid Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC(CCCCC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC(CCCCC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30O6/c1-5-26-19(24)16-12-10-15(11-13-16)14-17(8-6-7-9-18(22)23)20(25)27-21(2,3)4/h10-13,17H,5-9,14H2,1-4H3,(H,22,23)