2-[(4-ethoxycarbonylphenyl)methyl]heptanedioic acid

Systemtic Name: 2-[(4-ethoxycarbonylphenyl)methyl]heptanedioic acid Openeye Name: 2-[(4-ethoxycarbonylphenyl)methyl]heptanedioic acid CAS Name: 2-[(4-ethoxycarbonylphenyl)methyl]heptanedioic acid IUPAC Name: 2-[(4-ethoxycarbonylphenyl)methyl]heptanedioic acid Traditional Name: 2-(4-carbethoxybenzyl)pimelic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O6/c1-2-23-17(22)13-9-7-12(8-10-13)11-14(16(20)21)5-3-4-6-15(18)19/h7-10,14H,2-6,11H2,1H3,(H,18,19)(H,20,21)