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

Systemtic Name: 2-[2-cyanoethyl-(phenylmethyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[benzyl(2-cyanoethyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[benzyl(2-cyanoethyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[benzyl(2-cyanoethyl)carbamoyl]cyclohexanecarboxylic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N(CCC#N)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)N(CCC#N)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H22N2O3/c19-11-6-12-20(13-14-7-2-1-3-8-14)17(21)15-9-4-5-10-16(15)18(22)23/h1-3,7-8,15-16H,4-6,9-10,12-13H2,(H,22,23)