ethanedioic acid; ethyl 5-[3-(2-hydroxyethylamino)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-[3-(2-hydroxyethylamino)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]-1,2-dimethyl-indole-3-carboxylate; oxalic acid CAS Name: 5-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]-1,2-dimethylindole-3-carboxylate; oxalic acid Traditional Name: 5-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester; oxalic acid Formula: C20H28N2O9 MolecularWeight: 440.44432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCCO)O)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCCO)O)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O5.C2H2O4/c1-4-24-18(23)17-12(2)20(3)16-6-5-14(9-15(16)17)25-11-13(22)10-19-7-8-21;3-1(4)2(5)6/h5-6,9,13,19,21-22H,4,7-8,10-11H2,1-3H3;(H,3,4)(H,5,6)