4-(3-chloranyl-4-cyclohexyl-phenyl)-4-cyano-butanoic acid

Systemtic Name: 4-(3-chloranyl-4-cyclohexyl-phenyl)-4-cyano-butanoic acid Openeye Name: 4-(3-chloro-4-cyclohexyl-phenyl)-4-cyano-butanoic acid CAS Name: 4-(3-chloro-4-cyclohexylphenyl)-4-cyanobutanoic acid IUPAC Name: 4-(3-chloro-4-cyclohexylphenyl)-4-cyanobutanoic acid Traditional Name: 4-(3-chloro-4-cyclohexyl-phenyl)-4-cyano-butyric acid Formula: C17H20ClNO2 MolecularWeight: 305.7992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C(CCC(=O)O)C#N)Cl

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C(CCC(=O)O)C#N)Cl

InChI

InChI=1S/C17H20ClNO2/c18-16-10-13(14(11-19)7-9-17(20)21)6-8-15(16)12-4-2-1-3-5-12/h6,8,10,12,14H,1-5,7,9H2,(H,20,21)