[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCC1)C#N)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1(CCCC1)C#N)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2O4/c1-15(27-17-9-7-16(8-10-17)20(2,3)4)19(25)26-13-18(24)23-21(14-22)11-5-6-12-21/h7-10,15H,5-6,11-13H2,1-4H3,(H,23,24)/t15-/m1/s1