N-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]butan-1-amine; ethanedioic acid Openeye Name: N-[3-(2-allyl-4-chloro-phenoxy)propyl]butan-1-amine; oxalic acid CAS Name: N-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]-1-butanamine; oxalic acid IUPAC Name: N-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]butan-1-amine; oxalic acid Traditional Name: 3-(2-allyl-4-chloro-phenoxy)propyl-butyl-amine; oxalic acid Formula: C18H26ClNO5 MolecularWeight: 371.85574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=C(C=C(C=C1)Cl)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=C(C=C(C=C1)Cl)CC=C.C(=O)(C(=O)O)O

InChI

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