[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C18H22ClN3O5 MolecularWeight: 395.83738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl

InChI

InChI=1S/C18H22ClN3O5/c1-18(2,3)27-17(25)21-8-4-5-16(24)26-11-15(23)22-13-7-6-12(10-20)14(19)9-13/h6-7,9H,4-5,8,11H2,1-3H3,(H,21,25)(H,22,23)