4-cyano-4-(2-ethylphenyl)heptanedioic acid

Systemtic Name: 4-cyano-4-(2-ethylphenyl)heptanedioic acid Openeye Name: 4-cyano-4-(2-ethylphenyl)heptanedioic acid CAS Name: 4-cyano-4-(2-ethylphenyl)heptanedioic acid IUPAC Name: 4-cyano-4-(2-ethylphenyl)heptanedioic acid Traditional Name: 4-cyano-4-(2-ethylphenyl)pimelic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CCC(=O)O)(CCC(=O)O)C#N

Isomeric SMILES

CCC1=CC=CC=C1C(CCC(=O)O)(CCC(=O)O)C#N

InChI

InChI=1S/C16H19NO4/c1-2-12-5-3-4-6-13(12)16(11-17,9-7-14(18)19)10-8-15(20)21/h3-6H,2,7-10H2,1H3,(H,18,19)(H,20,21)