(E)-but-2-enedioic acid; 2-methyl-1-[2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]butan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-1-[2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]butan-1-one Openeye Name: fumaric acid; 1-[3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-1H-indol-5-yl]-2-methyl-butan-1-one CAS Name: (E)-2-butenedioic acid; 2-methyl-1-[2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-butanone IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-1-[2-methyl-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]butan-1-one Traditional Name: fumaric acid; 1-[3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-1H-indol-5-yl]-2-methyl-butan-1-one Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=CC2=C(C=C1)NC(=C2C3=CCN(CC3)C(C)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C(=O)C1=CC2=C(C=C1)NC(=C2C3=CCN(CC3)C(C)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H30N2O.C4H4O4/c1-6-15(4)22(25)18-7-8-20-19(13-18)21(16(5)23-20)17-9-11-24(12-10-17)14(2)3;5-3(6)1-2-4(7)8/h7-9,13-15,23H,6,10-12H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+