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

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

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