N-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]prop-2-en-1-amine; ethanedioic acid

Systemtic Name: N-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]prop-2-en-1-amine; ethanedioic acid Openeye Name: N-[2-(4-bromo-2-methyl-phenoxy)ethyl]prop-2-en-1-amine; oxalic acid CAS Name: N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-propen-1-amine; oxalic acid IUPAC Name: N-[2-(4-bromo-2-methylphenoxy)ethyl]prop-2-en-1-amine; oxalic acid Traditional Name: allyl-[2-(4-bromo-2-methyl-phenoxy)ethyl]amine; oxalic acid Formula: C14H18BrNO5 MolecularWeight: 360.20042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO.C2H2O4/c1-3-6-14-7-8-15-12-5-4-11(13)9-10(12)2;3-1(4)2(5)6/h3-5,9,14H,1,6-8H2,2H3;(H,3,4)(H,5,6)