(E)-but-2-enedioic acid; 2-[2-chloranyl-4-(methoxymethoxy)-3-phenylmethoxy-phenyl]ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-chloranyl-4-(methoxymethoxy)-3-phenylmethoxy-phenyl]ethanamine Openeye Name: 2-[3-benzyloxy-2-chloro-4-(methoxymethoxy)phenyl]ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-chloro-4-(methoxymethoxy)-3-phenylmethoxyphenyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-[2-chloro-4-(methoxymethoxy)-3-phenylmethoxyphenyl]ethanamine Traditional Name: 2-[3-benzoxy-2-chloro-4-(methoxymethoxy)phenyl]ethylamine; fumaric acid Formula: C21H24ClNO7 MolecularWeight: 437.87076

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C(=C(C=C1)CCN)Cl)OCC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COCOC1=C(C(=C(C=C1)CCN)Cl)OCC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20ClNO3.C4H4O4/c1-20-12-22-15-8-7-14(9-10-19)16(18)17(15)21-11-13-5-3-2-4-6-13;5-3(6)1-2-4(7)8/h2-8H,9-12,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+