ethanedioic acid; 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl benzoate

Systemtic Name: ethanedioic acid; 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl benzoate Openeye Name: 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl benzoate; oxalic acid CAS Name: benzoic acid 3-[3-(2-methoxyphenoxy)-1-pyrrolidinyl]propyl ester; oxalic acid IUPAC Name: 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl benzoate; oxalic acid Traditional Name: benzoic acid 3-[3-(2-methoxyphenoxy)pyrrolidino]propyl ester; oxalic acid Formula: C23H27NO8 MolecularWeight: 445.46238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NO4.C2H2O4/c1-24-19-10-5-6-11-20(19)26-18-12-14-22(16-18)13-7-15-25-21(23)17-8-3-2-4-9-17;3-1(4)2(5)6/h2-6,8-11,18H,7,12-16H2,1H3;(H,3,4)(H,5,6)