4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-prop-2-enyl-butan-1-amine; ethanedioic acid

Systemtic Name: 4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-prop-2-enyl-butan-1-amine; ethanedioic acid Openeye Name: N-allyl-4-(2-bromo-6-chloro-4-methyl-phenoxy)butan-1-amine; oxalic acid CAS Name: 4-(2-bromo-6-chloro-4-methylphenoxy)-N-prop-2-enyl-1-butanamine; oxalic acid IUPAC Name: 4-(2-bromo-6-chloro-4-methylphenoxy)-N-prop-2-enylbutan-1-amine; oxalic acid Traditional Name: allyl-[4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl]amine; oxalic acid Formula: C16H21BrClNO5 MolecularWeight: 422.69864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCCNCC=C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCCNCC=C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19BrClNO.C2H2O4/c1-3-6-17-7-4-5-8-18-14-12(15)9-11(2)10-13(14)16;3-1(4)2(5)6/h3,9-10,17H,1,4-8H2,2H3;(H,3,4)(H,5,6)