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

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C18H24N2O3/c1-6-14-7-9-15(10-8-14)17(22)23-13(4)16(21)20-18(5,11-19)12(2)3/h7-10,12-13H,6H2,1-5H3,(H,20,21)