(E)-but-2-enedioic acid; 4-naphthalen-1-yloxy-4-thiophen-2-yl-butan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-naphthalen-1-yloxy-4-thiophen-2-yl-butan-2-amine Openeye Name: fumaric acid; 4-(1-naphthyloxy)-4-(2-thienyl)butan-2-amine CAS Name: (E)-2-butenedioic acid; 4-(1-naphthalenyloxy)-4-thiophen-2-yl-2-butanamine IUPAC Name: (E)-but-2-enedioic acid; 4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-amine Traditional Name: fumaric acid; [1-methyl-3-(1-naphthoxy)-3-(2-thienyl)propyl]amine Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19NOS.C4H4O4/c1-13(19)12-17(18-10-5-11-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;5-3(6)1-2-4(7)8/h2-11,13,17H,12,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+