(E)-but-2-enedioic acid; (4-methoxyphenyl)-[2-methyl-1-(1-methylazetidin-3-yl)indol-3-yl]methanone

Systemtic Name: (E)-but-2-enedioic acid; (4-methoxyphenyl)-[2-methyl-1-(1-methylazetidin-3-yl)indol-3-yl]methanone Openeye Name: fumaric acid; (4-methoxyphenyl)-[2-methyl-1-(1-methylazetidin-3-yl)indol-3-yl]methanone CAS Name: (E)-2-butenedioic acid; (4-methoxyphenyl)-[2-methyl-1-(1-methyl-3-azetidinyl)-3-indolyl]methanone IUPAC Name: (E)-but-2-enedioic acid; (4-methoxyphenyl)-[2-methyl-1-(1-methylazetidin-3-yl)indol-3-yl]methanone Traditional Name: fumaric acid; (4-methoxyphenyl)-[2-methyl-1-(1-methylazetidin-3-yl)indol-3-yl]methanone Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C3CN(C3)C)C(=O)C4=CC=C(C=C4)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C3CN(C3)C)C(=O)C4=CC=C(C=C4)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22N2O2.C4H4O4/c1-14-20(21(24)15-8-10-17(25-3)11-9-15)18-6-4-5-7-19(18)23(14)16-12-22(2)13-16;5-3(6)1-2-4(7)8/h4-11,16H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+