1-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]-3-methyl-piperidine; ethanedioic acid

Systemtic Name: 1-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]-3-methyl-piperidine; ethanedioic acid Openeye Name: 1-[3-(2-allyl-4-chloro-phenoxy)propyl]-3-methyl-piperidine; oxalic acid CAS Name: 1-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]-3-methylpiperidine; oxalic acid IUPAC Name: 1-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]-3-methylpiperidine; oxalic acid Traditional Name: 1-[3-(2-allyl-4-chloro-phenoxy)propyl]-3-methyl-piperidine; oxalic acid Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCOC2=C(C=C(C=C2)Cl)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)CCCOC2=C(C=C(C=C2)Cl)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26ClNO.C2H2O4/c1-3-6-16-13-17(19)8-9-18(16)21-12-5-11-20-10-4-7-15(2)14-20;3-1(4)2(5)6/h3,8-9,13,15H,1,4-7,10-12,14H2,2H3;(H,3,4)(H,5,6)