ethanedioic acid; ethyl 4-(dimethylaminomethyl)-1,2-dimethyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(dimethylaminomethyl)-1,2-dimethyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-indole-3-carboxylate; oxalic acid CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate; oxalic acid Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester; oxalic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N2O3.C2H2O4/c1-6-21-16(20)14-10(2)18(5)12-7-8-13(19)11(15(12)14)9-17(3)4;3-1(4)2(5)6/h7-8,19H,6,9H2,1-5H3;(H,3,4)(H,5,6)