2-[3-(benzimidazol-1-yl)propylamino]-1-(4-phenylmethoxyphenyl)ethanone; (E)-but-2-enedioic acid

Systemtic Name: 2-[3-(benzimidazol-1-yl)propylamino]-1-(4-phenylmethoxyphenyl)ethanone; (E)-but-2-enedioic acid Openeye Name: 2-[3-(benzimidazol-1-yl)propylamino]-1-(4-benzyloxyphenyl)ethanone; fumaric acid CAS Name: 2-[3-(1-benzimidazolyl)propylamino]-1-(4-phenylmethoxyphenyl)ethanone; (E)-2-butenedioic acid IUPAC Name: 2-[3-(benzimidazol-1-yl)propylamino]-1-(4-phenylmethoxyphenyl)ethanone; (E)-but-2-enedioic acid Traditional Name: 2-[3-(benzimidazol-1-yl)propylamino]-1-(4-benzoxyphenyl)ethanone; fumaric acid Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)CNCCCN3C=NC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)CNCCCN3C=NC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H25N3O2.C4H4O4/c29-25(17-26-15-6-16-28-19-27-23-9-4-5-10-24(23)28)21-11-13-22(14-12-21)30-18-20-7-2-1-3-8-20;5-3(6)1-2-4(7)8/h1-5,7-14,19,26H,6,15-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+