ethanedioic acid; 3-[1-[2-(4-methoxy-2-prop-2-enyl-phenoxy)ethyl]piperidin-2-yl]pyridine

Systemtic Name: ethanedioic acid; 3-[1-[2-(4-methoxy-2-prop-2-enyl-phenoxy)ethyl]piperidin-2-yl]pyridine Openeye Name: 3-[1-[2-(2-allyl-4-methoxy-phenoxy)ethyl]-2-piperidyl]pyridine; oxalic acid CAS Name: 3-[1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2-piperidinyl]pyridine; oxalic acid IUPAC Name: 3-[1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine; oxalic acid Traditional Name: 3-[1-[2-(2-allyl-4-methoxy-phenoxy)ethyl]-2-piperidyl]pyridine; oxalic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCN2CCCCC2C3=CN=CC=C3)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OCCN2CCCCC2C3=CN=CC=C3)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O2.C2H2O4/c1-3-7-18-16-20(25-2)10-11-22(18)26-15-14-24-13-5-4-9-21(24)19-8-6-12-23-17-19;3-1(4)2(5)6/h3,6,8,10-12,16-17,21H,1,4-5,7,9,13-15H2,2H3;(H,3,4)(H,5,6)