4-cyano-4-(3,4-dimethoxyphenyl)heptanedioic acid

Systemtic Name: 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioic acid Openeye Name: 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioic acid CAS Name: 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioic acid IUPAC Name: 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioic acid Traditional Name: 4-cyano-4-(3,4-dimethoxyphenyl)pimelic acid Formula: C16H19NO6 MolecularWeight: 321.32516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6/c1-22-12-4-3-11(9-13(12)23-2)16(10-17,7-5-14(18)19)8-6-15(20)21/h3-4,9H,5-8H2,1-2H3,(H,18,19)(H,20,21)