(E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N-methyl-butan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N-methyl-butan-1-amine Openeye Name: 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N-methyl-butan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N-methyl-1-butanamine IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N-methylbutan-1-amine Traditional Name: [1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-butyl]-methyl-amine; fumaric acid Formula: C21H30ClNO5 MolecularWeight: 411.9196

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCC(C1(CCC1)C2=CC=C(C=C2)Cl)NC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOCCCC(C1(CCC1)C2=CC=C(C=C2)Cl)NC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H26ClNO.C4H4O4/c1-3-20-13-4-6-16(19-2)17(11-5-12-17)14-7-9-15(18)10-8-14;5-3(6)1-2-4(7)8/h7-10,16,19H,3-6,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+