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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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