[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H22N2O3/c1-13(17(21)20-16-9-4-2-3-5-10-16)23-18(22)15-8-6-7-14(11-15)12-19/h6-8,11,13,16H,2-5,9-10H2,1H3,(H,20,21)