2-[2-cyanoethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[2-cyanoethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-cyanoethyl(phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[N-(2-cyanoethyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-cyanoethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2-cyanoethyl(phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N(CCC#N)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)N(CCC#N)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O3/c18-11-6-12-19(13-7-2-1-3-8-13)16(20)14-9-4-5-10-15(14)17(21)22/h1-3,7-8,14-15H,4-6,9-10,12H2,(H,21,22)