(E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-4-yl)indazole

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-4-yl)indazole Openeye Name: fumaric acid; 1-(2-methoxyphenyl)-3-(1-methyl-4-piperidyl)indazole CAS Name: (E)-2-butenedioic acid; 1-(2-methoxyphenyl)-3-(1-methyl-4-piperidinyl)indazole IUPAC Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-4-yl)indazole Traditional Name: fumaric acid; 1-(2-methoxyphenyl)-3-(1-methyl-4-piperidyl)indazole Formula: C24H27N3O5 MolecularWeight: 437.48828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H23N3O.C4H4O4/c1-22-13-11-15(12-14-22)20-16-7-3-4-8-17(16)23(21-20)18-9-5-6-10-19(18)24-2;5-3(6)1-2-4(7)8/h3-10,15H,11-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+