[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H29N3O6/c1-14(2)19(24-20(27)15-9-16(29-3)11-17(10-15)30-4)21(28)31-12-18(26)25-22(13-23)7-5-6-8-22/h9-11,14,19H,5-8,12H2,1-4H3,(H,24,27)(H,25,26)