ethanedioic acid; ethyl 2-methyl-1-(4-methylphenyl)-5-[2-oxidanyl-3-(oxolan-2-ylmethylamino)propoxy]indole-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-methyl-1-(4-methylphenyl)-5-[2-oxidanyl-3-(oxolan-2-ylmethylamino)propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(tetrahydrofuran-2-ylmethylamino)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate; oxalic acid CAS Name: 5-[2-hydroxy-3-(2-oxolanylmethylamino)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-[2-hydroxy-3-(oxolan-2-ylmethylamino)propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate; oxalic acid Traditional Name: 5-[2-hydroxy-3-(tetrahydrofurfurylamino)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester; oxalic acid Formula: C29H36N2O9 MolecularWeight: 556.60414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCC3CCCO3)O)C4=CC=C(C=C4)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCC3CCCO3)O)C4=CC=C(C=C4)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H34N2O5.C2H2O4/c1-4-32-27(31)26-19(3)29(20-9-7-18(2)8-10-20)25-12-11-22(14-24(25)26)34-17-21(30)15-28-16-23-6-5-13-33-23;3-1(4)2(5)6/h7-12,14,21,23,28,30H,4-6,13,15-17H2,1-3H3;(H,3,4)(H,5,6)