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

Systemtic Name: 1-butyl-3-[(2-methoxy-4-prop-2-enyl-phenoxy)methyl]-4-phenyl-piperidine; ethanedioic acid Openeye Name: 3-[(4-allyl-2-methoxy-phenoxy)methyl]-1-butyl-4-phenyl-piperidine; oxalic acid CAS Name: 1-butyl-3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4-phenylpiperidine; oxalic acid IUPAC Name: 1-butyl-3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4-phenylpiperidine; oxalic acid Traditional Name: 3-[(4-allyl-2-methoxy-phenoxy)methyl]-1-butyl-4-phenyl-piperidine; oxalic acid Formula: C28H37NO6 MolecularWeight: 483.59648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)COC2=C(C=C(C=C2)CC=C)OC)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1CCC(C(C1)COC2=C(C=C(C=C2)CC=C)OC)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H35NO2.C2H2O4/c1-4-6-16-27-17-15-24(22-11-8-7-9-12-22)23(19-27)20-29-25-14-13-21(10-5-2)18-26(25)28-3;3-1(4)2(5)6/h5,7-9,11-14,18,23-24H,2,4,6,10,15-17,19-20H2,1,3H3;(H,3,4)(H,5,6)