(E)-but-2-enedioic acid; N-methyl-3-(4-methylnaphthalen-1-yl)oxy-3-thiophen-2-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-3-(4-methylnaphthalen-1-yl)oxy-3-thiophen-2-yl-propan-1-amine Openeye Name: fumaric acid; N-methyl-3-[(4-methyl-1-naphthyl)oxy]-3-(2-thienyl)propan-1-amine CAS Name: (E)-2-butenedioic acid; N-methyl-3-[(4-methyl-1-naphthalenyl)oxy]-3-thiophen-2-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-3-(4-methylnaphthalen-1-yl)oxy-3-thiophen-2-ylpropan-1-amine Traditional Name: fumaric acid; methyl-[3-(4-methyl-1-naphthoxy)-3-(2-thienyl)propyl]amine Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)OC(CCNC)C3=CC=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)OC(CCNC)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21NOS.C4H4O4/c1-14-9-10-17(16-7-4-3-6-15(14)16)21-18(11-12-20-2)19-8-5-13-22-19;5-3(6)1-2-4(7)8/h3-10,13,18,20H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+