3-(4-bromanyl-2-methyl-phenoxy)-N-prop-2-enyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-bromanyl-2-methyl-phenoxy)-N-prop-2-enyl-propan-1-amine; ethanedioic acid Openeye Name: N-allyl-3-(4-bromo-2-methyl-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(4-bromo-2-methylphenoxy)-N-prop-2-enyl-1-propanamine; oxalic acid IUPAC Name: 3-(4-bromo-2-methylphenoxy)-N-prop-2-enylpropan-1-amine; oxalic acid Traditional Name: allyl-[3-(4-bromo-2-methyl-phenoxy)propyl]amine; oxalic acid Formula: C15H20BrNO5 MolecularWeight: 374.227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCCNCC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCCNCC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18BrNO.C2H2O4/c1-3-7-15-8-4-9-16-13-6-5-12(14)10-11(13)2;3-1(4)2(5)6/h3,5-6,10,15H,1,4,7-9H2,2H3;(H,3,4)(H,5,6)