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

Systemtic Name: 1-[4-cyano-4-(4-methoxy-3-oxidanyl-phenyl)piperidin-1-yl]cyclopropane-1-carboxylic acid Openeye Name: 1-[4-cyano-4-(3-hydroxy-4-methoxy-phenyl)-1-piperidyl]cyclopropanecarboxylic acid CAS Name: 1-[4-cyano-4-(3-hydroxy-4-methoxyphenyl)-1-piperidinyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[4-cyano-4-(3-hydroxy-4-methoxyphenyl)piperidin-1-yl]cyclopropane-1-carboxylic acid Traditional Name: 1-[4-cyano-4-(3-hydroxy-4-methoxy-phenyl)piperidino]cyclopropanecarboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-23-14-3-2-12(10-13(14)20)16(11-18)6-8-19(9-7-16)17(4-5-17)15(21)22/h2-3,10,20H,4-9H2,1H3,(H,21,22)