(E)-but-2-enedioic acid; N-(naphthalen-2-ylmethyl)-1-thieno[2,3-c]pyridin-7-yl-piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(naphthalen-2-ylmethyl)-1-thieno[2,3-c]pyridin-7-yl-piperidin-4-amine Openeye Name: fumaric acid; N-(2-naphthylmethyl)-1-thieno[2,3-c]pyridin-7-yl-piperidin-4-amine CAS Name: (E)-2-butenedioic acid; N-(2-naphthalenylmethyl)-1-(7-thieno[2,3-c]pyridinyl)-4-piperidinamine IUPAC Name: (E)-but-2-enedioic acid; N-(naphthalen-2-ylmethyl)-1-thieno[2,3-c]pyridin-7-ylpiperidin-4-amine Traditional Name: fumaric acid; 2-naphthylmethyl-(1-thieno[2,3-c]pyridin-7-yl-4-piperidyl)amine Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC3=CC=CC=C3C=C2)C4=NC=CC5=C4SC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1NCC2=CC3=CC=CC=C3C=C2)C4=NC=CC5=C4SC=C5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H23N3S.C4H4O4/c1-2-4-20-15-17(5-6-18(20)3-1)16-25-21-8-12-26(13-9-21)23-22-19(7-11-24-23)10-14-27-22;5-3(6)1-2-4(7)8/h1-7,10-11,14-15,21,25H,8-9,12-13,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+