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

Systemtic Name: ethanedioic acid; ethyl 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-indolin-1-yl]propanoate; oxalic acid CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-nonoxy-2,3-dihydroindol-1-yl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-2,3-dihydroindol-1-yl]propanoate; oxalic acid Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-indolin-1-yl]propionic acid ethyl ester; oxalic acid Formula: C29H43N3O7 MolecularWeight: 545.66762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H41N3O3.C2H2O4/c1-3-5-6-7-8-9-10-19-33-24-11-12-26-25(20-24)23(13-16-29-18-15-28-22-29)21-30(26)17-14-27(31)32-4-2;3-1(4)2(5)6/h11-12,15,18,20,22-23H,3-10,13-14,16-17,19,21H2,1-2H3;(H,3,4)(H,5,6)