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

Systemtic Name: 4-(4-bromanyl-2-methyl-phenoxy)-N-prop-2-enyl-butan-1-amine; ethanedioic acid Openeye Name: N-allyl-4-(4-bromo-2-methyl-phenoxy)butan-1-amine; oxalic acid CAS Name: 4-(4-bromo-2-methylphenoxy)-N-prop-2-enyl-1-butanamine; oxalic acid IUPAC Name: 4-(4-bromo-2-methylphenoxy)-N-prop-2-enylbutan-1-amine; oxalic acid Traditional Name: allyl-[4-(4-bromo-2-methyl-phenoxy)butyl]amine; oxalic acid Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO.C2H2O4/c1-3-8-16-9-4-5-10-17-14-7-6-13(15)11-12(14)2;3-1(4)2(5)6/h3,6-7,11,16H,1,4-5,8-10H2,2H3;(H,3,4)(H,5,6)