ethanedioic acid; ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-yl]propanoate

Systemtic Name: ethanedioic acid; ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-yl]propanoate; oxalic acid CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-octoxy-2,3-dihydroindol-1-yl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-yl]propanoate; oxalic acid Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-yl]propionic acid ethyl ester; oxalic acid Formula: C28H41N3O7 MolecularWeight: 531.64104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H39N3O3.C2H2O4/c1-3-5-6-7-8-9-18-32-23-10-11-25-24(19-23)22(12-15-28-17-14-27-21-28)20-29(25)16-13-26(30)31-4-2;3-1(4)2(5)6/h10-11,14,17,19,21-22H,3-9,12-13,15-16,18,20H2,1-2H3;(H,3,4)(H,5,6)