ethanedioic acid; 1-(3-ethylphenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(3-ethylphenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol Openeye Name: 1-(3-ethylphenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol; oxalic acid CAS Name: 1-(3-ethylphenoxy)-3-[(1-ethyl-2-pyrrolidinyl)methylamino]-2-propanol; oxalic acid IUPAC Name: 1-(3-ethylphenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol; oxalic acid Traditional Name: 1-(3-ethylphenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol; oxalic acid Formula: C20H32N2O6 MolecularWeight: 396.47788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CNCC2CCCN2CC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CNCC2CCCN2CC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H30N2O2.C2H2O4/c1-3-15-7-5-9-18(11-15)22-14-17(21)13-19-12-16-8-6-10-20(16)4-2;3-1(4)2(5)6/h5,7,9,11,16-17,19,21H,3-4,6,8,10,12-14H2,1-2H3;(H,3,4)(H,5,6)