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

Systemtic Name: 1-[4-(4-chloranyl-2-prop-2-enyl-phenoxy)butyl]-3-methyl-piperidine; ethanedioic acid Openeye Name: 1-[4-(2-allyl-4-chloro-phenoxy)butyl]-3-methyl-piperidine; oxalic acid CAS Name: 1-[4-(4-chloro-2-prop-2-enylphenoxy)butyl]-3-methylpiperidine; oxalic acid IUPAC Name: 1-[4-(4-chloro-2-prop-2-enylphenoxy)butyl]-3-methylpiperidine; oxalic acid Traditional Name: 1-[4-(2-allyl-4-chloro-phenoxy)butyl]-3-methyl-piperidine; oxalic acid Formula: C21H30ClNO5 MolecularWeight: 411.9196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCCOC2=C(C=C(C=C2)Cl)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)CCCCOC2=C(C=C(C=C2)Cl)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28ClNO.C2H2O4/c1-3-7-17-14-18(20)9-10-19(17)22-13-5-4-11-21-12-6-8-16(2)15-21;3-1(4)2(5)6/h3,9-10,14,16H,1,4-8,11-13,15H2,2H3;(H,3,4)(H,5,6)