[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-14(2)18(23-19(26)15-6-8-16(28-3)9-7-15)20(27)29-12-17(25)24-21(13-22)10-4-5-11-21/h6-9,14,18H,4-5,10-12H2,1-3H3,(H,23,26)(H,24,25)