piperidin-4-yl 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-benzoate

Systemtic Name: piperidin-4-yl 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-benzoate Openeye Name: 4-piperidyl 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-benzoate CAS Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxybenzoic acid 4-piperidinyl ester IUPAC Name: piperidin-4-yl 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxybenzoate Traditional Name: 3-homopiperonyl-2-methoxy-benzoic acid 4-piperidyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1CCC2=CC3=C(C=C2)OCO3)C(=O)OC4CCNCC4

Isomeric SMILES

COC1=C(C=CC=C1CCC2=CC3=C(C=C2)OCO3)C(=O)OC4CCNCC4

InChI

InChI=1S/C22H25NO5/c1-25-21-16(7-5-15-6-8-19-20(13-15)27-14-26-19)3-2-4-18(21)22(24)28-17-9-11-23-12-10-17/h2-4,6,8,13,17,23H,5,7,9-12,14H2,1H3