[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C20H28N2O4/c1-14(2)20(5,13-21)22-19(24)16(4)26-18(23)7-6-12-25-17-10-8-15(3)9-11-17/h8-11,14,16H,6-7,12H2,1-5H3,(H,22,24)