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

Systemtic Name: ethanedioic acid; ethyl 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoate; oxalic acid CAS Name: 3-[5-heptoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate; oxalic acid Traditional Name: 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid ethyl ester; oxalic acid Formula: C27H39N3O7 MolecularWeight: 517.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H37N3O3.C2H2O4/c1-3-5-6-7-8-17-31-22-9-10-24-23(18-22)21(11-14-27-16-13-26-20-27)19-28(24)15-12-25(29)30-4-2;3-1(4)2(5)6/h9-10,13,16,18,20-21H,3-8,11-12,14-15,17,19H2,1-2H3;(H,3,4)(H,5,6)