1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-[4-[3-(1-piperidyl)propoxy]phenyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-[4-[3-(1-piperidinyl)propoxy]phenyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-[4-(3-piperidinopropoxy)phenyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3(CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3(CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H27NO3/c23-20(24)21(12-3-1-4-13-21)18-8-10-19(11-9-18)25-17-7-16-22-14-5-2-6-15-22/h1,3-4,8-12H,2,5-7,13-17H2,(H,23,24)