[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)20-9-5-8-16(23)25-12-15(22)21-14-7-4-6-13(10-14)11-19/h4,6-7,10H,5,8-9,12H2,1-3H3,(H,20,24)(H,21,22)