3-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]-N-methyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]-N-methyl-propan-1-amine; ethanedioic acid Openeye Name: 3-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]-N-methyl-propan-1-amine; oxalic acid CAS Name: 3-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]-N-methyl-1-propanamine; oxalic acid IUPAC Name: 3-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]-N-methylpropan-1-amine; oxalic acid Traditional Name: 3-(4-tert-amyl-2-chloro-phenoxy)propyl-methyl-amine; oxalic acid Formula: C17H26ClNO5 MolecularWeight: 359.84504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24ClNO.C2H2O4/c1-5-15(2,3)12-7-8-14(13(16)11-12)18-10-6-9-17-4;3-1(4)2(5)6/h7-8,11,17H,5-6,9-10H2,1-4H3;(H,3,4)(H,5,6)