(E)-but-2-enedioic acid; 2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole Openeye Name: fumaric acid; 3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-1H-indole CAS Name: (E)-2-butenedioic acid; 2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole Traditional Name: fumaric acid; 3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-1H-indole Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3=CCN(CC3)C(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C3=CCN(CC3)C(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H22N2.C4H4O4/c1-12(2)19-10-8-14(9-11-19)17-13(3)18-16-7-5-4-6-15(16)17;5-3(6)1-2-4(7)8/h4-8,12,18H,9-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+