(E)-but-2-enedioic acid; 5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

Systemtic Name: (E)-but-2-enedioic acid; 5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole Openeye Name: fumaric acid; 5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole CAS Name: (E)-2-butenedioic acid; 5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole Traditional Name: fumaric acid; 5-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H22N2O.C4H4O4/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-5-4-14(20-2)11-15(16)17;5-3(6)1-2-4(7)8/h4-6,11-12,18H,3,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+