(E)-but-2-enedioic acid; 2-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]-1-(2-ethoxypropan-2-yl)benzimidazole

Systemtic Name: (E)-but-2-enedioic acid; 2-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]-1-(2-ethoxypropan-2-yl)benzimidazole Openeye Name: 2-[1-[(4-tert-butylphenyl)methyl]-4-piperidyl]-1-(1-ethoxy-1-methyl-ethyl)benzimidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[1-[(4-tert-butylphenyl)methyl]-4-piperidinyl]-1-(2-ethoxypropan-2-yl)benzimidazole IUPAC Name: (E)-but-2-enedioic acid; 2-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]-1-(2-ethoxypropan-2-yl)benzimidazole Traditional Name: 2-[1-(4-tert-butylbenzyl)-4-piperidyl]-1-(1-ethoxy-1-methyl-ethyl)benzimidazole; fumaric acid Formula: C32H43N3O5 MolecularWeight: 549.70092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)N1C2=CC=CC=C2N=C1C3CCN(CC3)CC4=CC=C(C=C4)C(C)(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(C)(C)N1C2=CC=CC=C2N=C1C3CCN(CC3)CC4=CC=C(C=C4)C(C)(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H39N3O.C4H4O4/c1-7-32-28(5,6)31-25-11-9-8-10-24(25)29-26(31)22-16-18-30(19-17-22)20-21-12-14-23(15-13-21)27(2,3)4;5-3(6)1-2-4(7)8/h8-15,22H,7,16-20H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+