ethanedioic acid; ethyl 3-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; ethyl 3-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 3-[3-[(1-ethyl-2-pyrrolidinyl)methylamino]-2-hydroxypropoxy]benzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-hydroxypropoxy]benzoate; oxalic acid Traditional Name: 3-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-hydroxy-propoxy]benzoic acid ethyl ester; oxalic acid Formula: C21H32N2O8 MolecularWeight: 440.48738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNCC(COC2=CC=CC(=C2)C(=O)OCC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCCC1CNCC(COC2=CC=CC(=C2)C(=O)OCC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O4.C2H2O4/c1-3-21-10-6-8-16(21)12-20-13-17(22)14-25-18-9-5-7-15(11-18)19(23)24-4-2;3-1(4)2(5)6/h5,7,9,11,16-17,20,22H,3-4,6,8,10,12-14H2,1-2H3;(H,3,4)(H,5,6)