(E)-but-2-enedioic acid; 5-methoxy-N-[4-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyrimidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-methoxy-N-[4-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyrimidin-4-amine Openeye Name: fumaric acid; 5-methoxy-N-[4-[4-(1-naphthyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]pyrimidin-4-amine CAS Name: (E)-2-butenedioic acid; 5-methoxy-N-[4-[4-(1-naphthalenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; 5-methoxy-N-[4-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyrimidin-4-amine Traditional Name: fumaric acid; (5-methoxypyrimidin-4-yl)-[4-[4-(1-naphthyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]amine Formula: C28H32N4O5 MolecularWeight: 504.57748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1NCCCCN2CCC(=CC2)C3=CC=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CN=CN=C1NCCCCN2CCC(=CC2)C3=CC=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H28N4O.C4H4O4/c1-29-23-17-25-18-27-24(23)26-13-4-5-14-28-15-11-20(12-16-28)22-10-6-8-19-7-2-3-9-21(19)22;5-3(6)1-2-4(7)8/h2-3,6-11,17-18H,4-5,12-16H2,1H3,(H,25,26,27);1-2H,(H,5,6)(H,7,8)/b;2-1+