[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C21H26N2O4/c1-2-5-16-6-8-17(9-7-16)18(24)10-11-20(26)27-14-19(25)23-21(15-22)12-3-4-13-21/h6-9H,2-5,10-14H2,1H3,(H,23,25)