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

Systemtic Name: (E)-but-2-enedioic acid; 5-methoxy-N-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrimidin-4-amine Openeye Name: fumaric acid; 5-methoxy-N-[2-[4-(1-naphthyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrimidin-4-amine CAS Name: (E)-2-butenedioic acid; 5-methoxy-N-[2-[4-(1-naphthalenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; 5-methoxy-N-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrimidin-4-amine Traditional Name: fumaric acid; (5-methoxypyrimidin-4-yl)-[2-[4-(1-naphthyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]amine Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1NCCN2CCC(=CC2)C3=CC=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CN=CN=C1NCCN2CCC(=CC2)C3=CC=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H24N4O.C4H4O4/c1-27-21-15-23-16-25-22(21)24-11-14-26-12-9-18(10-13-26)20-8-4-6-17-5-2-3-7-19(17)20;5-3(6)1-2-4(7)8/h2-9,15-16H,10-14H2,1H3,(H,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+