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

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methyl]heptanedioic acid Openeye Name: 2-[(4-methoxycarbonylphenyl)methyl]heptanedioic acid CAS Name: 2-[(4-methoxycarbonylphenyl)methyl]heptanedioic acid IUPAC Name: 2-[(4-methoxycarbonylphenyl)methyl]heptanedioic acid Traditional Name: 2-(4-carbomethoxybenzyl)pimelic acid Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6/c1-22-16(21)12-8-6-11(7-9-12)10-13(15(19)20)4-2-3-5-14(17)18/h6-9,13H,2-5,10H2,1H3,(H,17,18)(H,19,20)