(E)-but-2-enedioic acid; [1-[2-[3-(4-methoxyphenyl)carbonyl-2-methyl-indol-1-yl]ethyl]piperidin-3-yl] ethanoate

Systemtic Name: (E)-but-2-enedioic acid; [1-[2-[3-(4-methoxyphenyl)carbonyl-2-methyl-indol-1-yl]ethyl]piperidin-3-yl] ethanoate Openeye Name: fumaric acid; [1-[2-[3-(4-methoxybenzoyl)-2-methyl-indol-1-yl]ethyl]-3-piperidyl] acetate CAS Name: acetic acid [1-[2-[3-[(4-methoxyphenyl)-oxomethyl]-2-methyl-1-indolyl]ethyl]-3-piperidinyl] ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; [1-[2-[3-(4-methoxybenzoyl)-2-methylindol-1-yl]ethyl]piperidin-3-yl] acetate Traditional Name: acetic acid [1-[2-(2-methyl-3-p-anisoyl-indol-1-yl)ethyl]-3-piperidyl] ester; fumaric acid Formula: C30H34N2O8 MolecularWeight: 550.59956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCN3CCCC(C3)OC(=O)C)C(=O)C4=CC=C(C=C4)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCN3CCCC(C3)OC(=O)C)C(=O)C4=CC=C(C=C4)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H30N2O4.C4H4O4/c1-18-25(26(30)20-10-12-21(31-3)13-11-20)23-8-4-5-9-24(23)28(18)16-15-27-14-6-7-22(17-27)32-19(2)29;5-3(6)1-2-4(7)8/h4-5,8-13,22H,6-7,14-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+