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

Systemtic Name: ethanedioic acid; 3-[1-[4-(2-methoxy-4-prop-2-enyl-phenoxy)butyl]piperidin-2-yl]pyridine Openeye Name: 3-[1-[4-(4-allyl-2-methoxy-phenoxy)butyl]-2-piperidyl]pyridine; oxalic acid CAS Name: 3-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-2-piperidinyl]pyridine; oxalic acid IUPAC Name: 3-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]piperidin-2-yl]pyridine; oxalic acid Traditional Name: 3-[1-[4-(4-allyl-2-methoxy-phenoxy)butyl]-2-piperidyl]pyridine; oxalic acid Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCCCN2CCCCC2C3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCCCN2CCCCC2C3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O2.C2H2O4/c1-3-9-20-12-13-23(24(18-20)27-2)28-17-7-6-16-26-15-5-4-11-22(26)21-10-8-14-25-19-21;3-1(4)2(5)6/h3,8,10,12-14,18-19,22H,1,4-7,9,11,15-17H2,2H3;(H,3,4)(H,5,6)