4-ethoxycarbonyl-4-(2-methylpropanoyl)heptanedioic acid

Systemtic Name: 4-ethoxycarbonyl-4-(2-methylpropanoyl)heptanedioic acid Openeye Name: 4-ethoxycarbonyl-4-(2-methylpropanoyl)heptanedioic acid CAS Name: 4-ethoxycarbonyl-4-(2-methyl-1-oxopropyl)heptanedioic acid IUPAC Name: 4-ethoxycarbonyl-4-(2-methylpropanoyl)heptanedioic acid Traditional Name: 4-carbethoxy-4-isobutyryl-pimelic acid Formula: C14H22O7 MolecularWeight: 302.32028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)O)(CCC(=O)O)C(=O)C(C)C

Isomeric SMILES

CCOC(=O)C(CCC(=O)O)(CCC(=O)O)C(=O)C(C)C

InChI

InChI=1S/C14H22O7/c1-4-21-13(20)14(7-5-10(15)16,8-6-11(17)18)12(19)9(2)3/h9H,4-8H2,1-3H3,(H,15,16)(H,17,18)