(E)-but-2-enedioic acid; 2,2-dimethyl-1-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2,2-dimethyl-1-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[3-[1-(1-methylbutyl)-4-piperidyl]-1H-indol-5-yl]propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2,2-dimethyl-1-[3-(1-pentan-2-yl-4-piperidinyl)-1H-indol-5-yl]-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 2,2-dimethyl-1-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[3-[1-(1-methylbutyl)-4-piperidyl]-1H-indol-5-yl]propan-1-one; fumaric acid Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)C(=O)C(C)(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)C(=O)C(C)(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H34N2O.C4H4O4/c1-6-7-16(2)25-12-10-17(11-13-25)20-15-24-21-9-8-18(14-19(20)21)22(26)23(3,4)5;5-3(6)1-2-4(7)8/h8-9,14-17,24H,6-7,10-13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+