[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2,4-diisopropylbenzoate CAS Name: 2,4-di(propan-2-yl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate Traditional Name: 2,4-diisopropylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)C(C)C

InChI

InChI=1S/C21H28N2O3/c1-14(2)16-7-8-17(18(11-16)15(3)4)20(25)26-12-19(24)23-21(13-22)9-5-6-10-21/h7-8,11,14-15H,5-6,9-10,12H2,1-4H3,(H,23,24)