1-[4-cyano-4-(3-cyclobutyloxy-4-methoxy-phenyl)piperidin-1-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[4-cyano-4-(3-cyclobutyloxy-4-methoxy-phenyl)piperidin-1-yl]cyclopropane-1-carboxylic acid Openeye Name: 1-[4-cyano-4-[3-(cyclobutoxy)-4-methoxy-phenyl]-1-piperidyl]cyclopropanecarboxylic acid CAS Name: 1-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)-1-piperidinyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]cyclopropane-1-carboxylic acid Traditional Name: 1-[4-cyano-4-[3-(cyclobutoxy)-4-methoxy-phenyl]piperidino]cyclopropanecarboxylic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)O)C#N)OC4CCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)O)C#N)OC4CCC4

InChI

InChI=1S/C21H26N2O4/c1-26-17-6-5-15(13-18(17)27-16-3-2-4-16)20(14-22)9-11-23(12-10-20)21(7-8-21)19(24)25/h5-6,13,16H,2-4,7-12H2,1H3,(H,24,25)