1-[(3-cyanophenyl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(3-cyanobenzoyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[(3-cyanophenyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(3-cyanobenzoyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[(3-cyanobenzoyl)amino]cycloheptanecarboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H18N2O3/c17-11-12-6-5-7-13(10-12)14(19)18-16(15(20)21)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,18,19)(H,20,21)