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

Systemtic Name: ethanedioic acid; ethyl 3-[3-(2-imidazol-1-ylethyl)-5-pentoxy-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-pentoxy-indolin-1-yl]propanoate; oxalic acid CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-pentoxy-2,3-dihydroindol-1-yl]propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-pentoxy-2,3-dihydroindol-1-yl]propanoate; oxalic acid Traditional Name: 3-[5-amoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid ethyl ester; oxalic acid Formula: C25H35N3O7 MolecularWeight: 489.5613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H33N3O3.C2H2O4/c1-3-5-6-15-29-20-7-8-22-21(16-20)19(9-12-25-14-11-24-18-25)17-26(22)13-10-23(27)28-4-2;3-1(4)2(5)6/h7-8,11,14,16,18-19H,3-6,9-10,12-13,15,17H2,1-2H3;(H,3,4)(H,5,6)