methyl 3-cyano-2-[2-[di(propan-2-yl)amino]propanoylamino]-4,5-dimethyl-benzoate

Systemtic Name: methyl 3-cyano-2-[2-[di(propan-2-yl)amino]propanoylamino]-4,5-dimethyl-benzoate Openeye Name: methyl 3-cyano-2-[2-(diisopropylamino)propanoylamino]-4,5-dimethyl-benzoate CAS Name: 3-cyano-2-[[2-[di(propan-2-yl)amino]-1-oxopropyl]amino]-4,5-dimethylbenzoic acid methyl ester IUPAC Name: methyl 3-cyano-2-[2-[di(propan-2-yl)amino]propanoylamino]-4,5-dimethylbenzoate Traditional Name: 3-cyano-2-[2-(diisopropylamino)propanoylamino]-4,5-dimethyl-benzoic acid methyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-11(2)23(12(3)4)15(7)19(24)22-18-16(20(25)26-8)9-13(5)14(6)17(18)10-21/h9,11-12,15H,1-8H3,(H,22,24)