[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NC2(CCCC2)C#N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NC2(CCCC2)C#N)C)C

InChI

InChI=1S/C20H26N2O3/c1-12-13(2)15(4)18(16(5)14(12)3)19(24)25-10-17(23)22-20(11-21)8-6-7-9-20/h6-10H2,1-5H3,(H,22,23)