1-[(4-cyanophenyl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(4-cyanophenyl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(4-cyanobenzoyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[(4-cyanophenyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(4-cyanobenzoyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[(4-cyanobenzoyl)amino]cycloheptanecarboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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