ethanedioic acid; 3-[(2-methoxy-4-prop-2-enyl-phenoxy)methyl]-1-pentyl-4-phenyl-piperidine

Systemtic Name: ethanedioic acid; 3-[(2-methoxy-4-prop-2-enyl-phenoxy)methyl]-1-pentyl-4-phenyl-piperidine Openeye Name: 3-[(4-allyl-2-methoxy-phenoxy)methyl]-1-pentyl-4-phenyl-piperidine; oxalic acid CAS Name: 3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1-pentyl-4-phenylpiperidine; oxalic acid IUPAC Name: 3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1-pentyl-4-phenylpiperidine; oxalic acid Traditional Name: 3-[(4-allyl-2-methoxy-phenoxy)methyl]-1-amyl-4-phenyl-piperidine; oxalic acid Formula: C29H39NO6 MolecularWeight: 497.62306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COC2=C(C=C(C=C2)CC=C)OC)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCN1CCC(C(C1)COC2=C(C=C(C=C2)CC=C)OC)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H37NO2.C2H2O4/c1-4-6-10-17-28-18-16-25(23-12-8-7-9-13-23)24(20-28)21-30-26-15-14-22(11-5-2)19-27(26)29-3;3-1(4)2(5)6/h5,7-9,12-15,19,24-25H,2,4,6,10-11,16-18,20-21H2,1,3H3;(H,3,4)(H,5,6)