4-cyano-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanedioic acid

Systemtic Name: 4-cyano-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanedioic acid Openeye Name: 4-cyano-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanedioic acid CAS Name: 4-cyano-4-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]heptanedioic acid IUPAC Name: 4-cyano-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanedioic acid Traditional Name: 4-cyano-4-[4-(3-pyrrolidinopropoxy)phenyl]pimelic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=C(C=C2)C(CCC(=O)O)(CCC(=O)O)C#N

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=C(C=C2)C(CCC(=O)O)(CCC(=O)O)C#N

InChI

InChI=1S/C21H28N2O5/c22-16-21(10-8-19(24)25,11-9-20(26)27)17-4-6-18(7-5-17)28-15-3-14-23-12-1-2-13-23/h4-7H,1-3,8-15H2,(H,24,25)(H,26,27)