ethanedioic acid; ethyl 4-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)benzoate

Systemtic Name: ethanedioic acid; ethyl 4-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)benzoate Openeye Name: ethyl 4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)benzoate; oxalic acid CAS Name: 4-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]benzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)benzoate; oxalic acid Traditional Name: 4-(2-hydroxy-3-pyrrolidino-propoxy)benzoic acid ethyl ester; oxalic acid Formula: C18H25NO8 MolecularWeight: 383.393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCCC2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCCC2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO4.C2H2O4/c1-2-20-16(19)13-5-7-15(8-6-13)21-12-14(18)11-17-9-3-4-10-17;3-1(4)2(5)6/h5-8,14,18H,2-4,9-12H2,1H3;(H,3,4)(H,5,6)