4-cyano-4-[(3-methoxyphenyl)methyl]heptanedioic acid

Systemtic Name: 4-cyano-4-[(3-methoxyphenyl)methyl]heptanedioic acid Openeye Name: 4-cyano-4-[(3-methoxyphenyl)methyl]heptanedioic acid CAS Name: 4-cyano-4-[(3-methoxyphenyl)methyl]heptanedioic acid IUPAC Name: 4-cyano-4-[(3-methoxyphenyl)methyl]heptanedioic acid Traditional Name: 4-cyano-4-m-anisyl-pimelic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CCC(=O)O)(CCC(=O)O)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CC(CCC(=O)O)(CCC(=O)O)C#N

InChI

InChI=1S/C16H19NO5/c1-22-13-4-2-3-12(9-13)10-16(11-17,7-5-14(18)19)8-6-15(20)21/h2-4,9H,5-8,10H2,1H3,(H,18,19)(H,20,21)