5-cyano-2-oxidanylidene-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 5-cyano-2-oxidanylidene-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxylic acid Openeye Name: 5-cyano-2-oxo-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 5-cyano-2-oxo-5-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 5-cyano-2-oxo-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxylic acid Traditional Name: 5-cyano-2-keto-5-[4-(3-pyrrolidinopropoxy)phenyl]cyclohexanecarboxylic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CCC(=O)C(C3)C(=O)O)C#N

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CCC(=O)C(C3)C(=O)O)C#N

InChI

InChI=1S/C21H26N2O4/c22-15-21(9-8-19(24)18(14-21)20(25)26)16-4-6-17(7-5-16)27-13-3-12-23-10-1-2-11-23/h4-7,18H,1-3,8-14H2,(H,25,26)