[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-2-15(24-14-8-4-3-5-9-14)17(22)23-12-16(21)20-18(13-19)10-6-7-11-18/h3-5,8-9,15H,2,6-7,10-12H2,1H3,(H,20,21)/t15-/m1/s1