methyl 3-cyano-4,5-dimethyl-2-(2-piperidin-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-cyano-4,5-dimethyl-2-(2-piperidin-1-ylethanoylamino)benzoate Openeye Name: methyl 3-cyano-4,5-dimethyl-2-[[2-(1-piperidyl)acetyl]amino]benzoate CAS Name: 3-cyano-4,5-dimethyl-2-[[1-oxo-2-(1-piperidinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-cyano-4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate Traditional Name: 3-cyano-4,5-dimethyl-2-[(2-piperidinoacetyl)amino]benzoic acid methyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)OC)NC(=O)CN2CCCCC2)C#N)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)OC)NC(=O)CN2CCCCC2)C#N)C

InChI

InChI=1S/C18H23N3O3/c1-12-9-14(18(23)24-3)17(15(10-19)13(12)2)20-16(22)11-21-7-5-4-6-8-21/h9H,4-8,11H2,1-3H3,(H,20,22)