4-(4-bromanyl-2-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid

Systemtic Name: 4-(4-bromanyl-2-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid Openeye Name: 4-(4-bromo-2-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid CAS Name: 4-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)-1-butanamine; oxalic acid IUPAC Name: 4-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid Traditional Name: 4-(4-bromo-2-methyl-phenoxy)butyl-(3-methoxypropyl)amine; oxalic acid Formula: C17H26BrNO6 MolecularWeight: 420.29544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24BrNO2.C2H2O4/c1-13-12-14(16)6-7-15(13)19-11-4-3-8-17-9-5-10-18-2;3-1(4)2(5)6/h6-7,12,17H,3-5,8-11H2,1-2H3;(H,3,4)(H,5,6)