ethanedioic acid; ethyl 1,2-dimethyl-5-(2-oxidanyl-3-piperidin-1-yl-propoxy)indole-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1,2-dimethyl-5-(2-oxidanyl-3-piperidin-1-yl-propoxy)indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(1-piperidyl)propoxy]-1,2-dimethyl-indole-3-carboxylate; oxalic acid CAS Name: 5-[2-hydroxy-3-(1-piperidinyl)propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,2-dimethylindole-3-carboxylate; oxalic acid Traditional Name: 5-(2-hydroxy-3-piperidino-propoxy)-1,2-dimethyl-indole-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H32N2O8 MolecularWeight: 464.50878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCC3)O)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCC3)O)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2O4.C2H2O4/c1-4-26-21(25)20-15(2)22(3)19-9-8-17(12-18(19)20)27-14-16(24)13-23-10-6-5-7-11-23;3-1(4)2(5)6/h8-9,12,16,24H,4-7,10-11,13-14H2,1-3H3;(H,3,4)(H,5,6)