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

Systemtic Name: ethanedioic acid; 3-[3-(2-imidazol-1-ylethyl)-5-phenylmethoxy-2,3-dihydroindol-1-yl]propanoate Openeye Name: 3-[5-benzyloxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoate; oxalic acid CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-phenylmethoxy-2,3-dihydroindol-1-yl]propanoate; oxalic acid IUPAC Name: 3-[3-(2-imidazol-1-ylethyl)-5-phenylmethoxy-2,3-dihydroindol-1-yl]propanoate; oxalic acid Traditional Name: 3-[5-benzoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionate; oxalic acid Formula: C25H26N3O7- MolecularWeight: 480.48984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(N1CCC(=O)[O-])C=CC(=C2)OCC3=CC=CC=C3)CCN4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(C2=C(N1CCC(=O)[O-])C=CC(=C2)OCC3=CC=CC=C3)CCN4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N3O3.C2H2O4/c27-23(28)9-12-26-15-19(8-11-25-13-10-24-17-25)21-14-20(6-7-22(21)26)29-16-18-4-2-1-3-5-18;3-1(4)2(5)6/h1-7,10,13-14,17,19H,8-9,11-12,15-16H2,(H,27,28);(H,3,4)(H,5,6)/p-1