(E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methyl-pentan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methyl-pentan-1-amine Openeye Name: 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methyl-pentan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methyl-1-pentanamine IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine Traditional Name: [1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-pentyl]-methyl-amine; fumaric acid Formula: C22H32ClNO5 MolecularWeight: 425.94618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClNO.C4H4O4/c1-3-21-14-5-4-7-17(20-2)18(12-6-13-18)15-8-10-16(19)11-9-15;5-3(6)1-2-4(7)8/h8-11,17,20H,3-7,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+