1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]thiophen-2-yl]-5-cyclohexyl-pentan-1-one; (E)-but-2-enedioic acid

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]thiophen-2-yl]-5-cyclohexyl-pentan-1-one; (E)-but-2-enedioic acid Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-2-thienyl]-5-cyclohexyl-pentan-1-one; fumaric acid CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-2-thiophenyl]-5-cyclohexyl-1-pentanone; (E)-2-butenedioic acid IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]thiophen-2-yl]-5-cyclohexylpentan-1-one; (E)-but-2-enedioic acid Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-2-thienyl]-5-cyclohexyl-pentan-1-one; fumaric acid Formula: C25H39NO6S MolecularWeight: 481.64526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(S1)C(=O)CCCCC2CCCCC2)(CO)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CCC1=CC=C(S1)C(=O)CCCCC2CCCCC2)(CO)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H35NO2S.C4H4O4/c1-2-21(22,16-23)15-14-18-12-13-20(25-18)19(24)11-7-6-10-17-8-4-3-5-9-17;5-3(6)1-2-4(7)8/h12-13,17,23H,2-11,14-16,22H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+