6-[(3-cyanophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(3-cyanophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-cyanophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(3-cyanophenyl)methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-cyanophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-cyanobenzyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NCC2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C16H16N2O3/c17-9-11-4-3-5-12(8-11)10-18-15(19)13-6-1-2-7-14(13)16(20)21/h1-5,8,13-14H,6-7,10H2,(H,18,19)(H,20,21)