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

Systemtic Name: 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]piperidin-1-yl]cyclopropane-1-carboxylic acid Openeye Name: 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-piperidyl]cyclopropanecarboxylic acid CAS Name: 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-piperidinyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]cyclopropane-1-carboxylic acid Traditional Name: 1-[4-cyano-4-[3-(cyclopropylmethoxy)-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)OCC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)O)C#N)OCC4CC4

InChI

InChI=1S/C21H26N2O4/c1-26-17-5-4-16(12-18(17)27-13-15-2-3-15)20(14-22)8-10-23(11-9-20)21(6-7-21)19(24)25/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,24,25)