3-[2,5-bis(chloranyl)phenoxy]-3-cyclopropyl-N-methyl-propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-[2,5-bis(chloranyl)phenoxy]-3-cyclopropyl-N-methyl-propan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-cyclopropyl-3-(2,5-dichlorophenoxy)-N-methyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-cyclopropyl-3-(2,5-dichlorophenoxy)-N-methyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-cyclopropyl-3-(2,5-dichlorophenoxy)-N-methylpropan-1-amine Traditional Name: [3-cyclopropyl-3-(2,5-dichlorophenoxy)propyl]-methyl-amine; fumaric acid Formula: C17H21Cl2NO5 MolecularWeight: 390.25834

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1CC1)OC2=C(C=CC(=C2)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC(C1CC1)OC2=C(C=CC(=C2)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H17Cl2NO.C4H4O4/c1-16-7-6-12(9-2-3-9)17-13-8-10(14)4-5-11(13)15;5-3(6)1-2-4(7)8/h4-5,8-9,12,16H,2-3,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+