N-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]butan-2-amine; ethanedioic acid

Systemtic Name: N-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]butan-2-amine; ethanedioic acid Openeye Name: N-[3-(2-allyl-4-chloro-phenoxy)propyl]butan-2-amine; oxalic acid CAS Name: N-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]-2-butanamine; oxalic acid IUPAC Name: N-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]butan-2-amine; oxalic acid Traditional Name: 3-(2-allyl-4-chloro-phenoxy)propyl-sec-butyl-amine; oxalic acid Formula: C18H26ClNO5 MolecularWeight: 371.85574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCOC1=C(C=C(C=C1)Cl)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCCOC1=C(C=C(C=C1)Cl)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24ClNO.C2H2O4/c1-4-7-14-12-15(17)8-9-16(14)19-11-6-10-18-13(3)5-2;3-1(4)2(5)6/h4,8-9,12-13,18H,1,5-7,10-11H2,2-3H3;(H,3,4)(H,5,6)