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

Systemtic Name: 2-[(4-cyanophenyl)methyl]heptanedioic acid Openeye Name: 2-[(4-cyanophenyl)methyl]heptanedioic acid CAS Name: 2-[(4-cyanophenyl)methyl]heptanedioic acid IUPAC Name: 2-[(4-cyanophenyl)methyl]heptanedioic acid Traditional Name: 2-(4-cyanobenzyl)pimelic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CCCCC(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(CCCCC(=O)O)C(=O)O)C#N

InChI

InChI=1S/C15H17NO4/c16-10-12-7-5-11(6-8-12)9-13(15(19)20)3-1-2-4-14(17)18/h5-8,13H,1-4,9H2,(H,17,18)(H,19,20)