dimethyl 5-[(4-cyano-4-phenyl-piperidin-1-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-cyano-4-phenyl-piperidin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-cyano-4-phenyl-piperidine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-cyano-4-phenyl-1-piperidinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-cyano-4-phenylpiperidine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-cyano-4-phenyl-piperidine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O5/c1-30-20(27)16-12-17(21(28)31-2)14-19(13-16)25-22(29)26-10-8-23(15-24,9-11-26)18-6-4-3-5-7-18/h3-7,12-14H,8-11H2,1-2H3,(H,25,29)