[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-14(24)22-17(15-5-7-16(27-2)8-6-15)11-19(26)28-12-18(25)23-20(13-21)9-3-4-10-20/h5-8,17H,3-4,9-12H2,1-2H3,(H,22,24)(H,23,25)