N-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propyl]cyclopentanamine; ethanedioic acid

Systemtic Name: N-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propyl]cyclopentanamine; ethanedioic acid Openeye Name: N-[3-(2-bromo-4,6-dimethyl-phenoxy)propyl]cyclopentanamine; oxalic acid CAS Name: N-[3-(2-bromo-4,6-dimethylphenoxy)propyl]cyclopentanamine; oxalic acid IUPAC Name: N-[3-(2-bromo-4,6-dimethylphenoxy)propyl]cyclopentanamine; oxalic acid Traditional Name: 3-(2-bromo-4,6-dimethyl-phenoxy)propyl-cyclopentyl-amine; oxalic acid Formula: C18H26BrNO5 MolecularWeight: 416.30674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCNC2CCCC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCNC2CCCC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24BrNO.C2H2O4/c1-12-10-13(2)16(15(17)11-12)19-9-5-8-18-14-6-3-4-7-14;3-1(4)2(5)6/h10-11,14,18H,3-9H2,1-2H3;(H,3,4)(H,5,6)