(E)-but-2-enedioic acid; 5-methoxy-N-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]pyrimidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-methoxy-N-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]pyrimidin-4-amine Openeye Name: fumaric acid; 5-methoxy-N-[3-[4-(1-naphthyl)-1-piperidyl]propyl]pyrimidin-4-amine CAS Name: (E)-2-butenedioic acid; 5-methoxy-N-[3-[4-(1-naphthalenyl)-1-piperidinyl]propyl]-4-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; 5-methoxy-N-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]pyrimidin-4-amine Traditional Name: fumaric acid; (5-methoxypyrimidin-4-yl)-[3-[4-(1-naphthyl)piperidino]propyl]amine Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1NCCCN2CCC(CC2)C3=CC=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CN=CN=C1NCCCN2CCC(CC2)C3=CC=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H28N4O.C4H4O4/c1-28-22-16-24-17-26-23(22)25-12-5-13-27-14-10-19(11-15-27)21-9-4-7-18-6-2-3-8-20(18)21;5-3(6)1-2-4(7)8/h2-4,6-9,16-17,19H,5,10-15H2,1H3,(H,24,25,26);1-2H,(H,5,6)(H,7,8)/b;2-1+