ethanedioic acid; ethyl 2,4-dimethyl-5-[2-(3-morpholin-4-ylpropylamino)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2,4-dimethyl-5-[2-(3-morpholin-4-ylpropylamino)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(3-morpholinopropylamino)acetyl]-1H-pyrrole-3-carboxylate; oxalic acid CAS Name: 2,4-dimethyl-5-[2-[3-(4-morpholinyl)propylamino]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2,4-dimethyl-5-[2-(3-morpholin-4-ylpropylamino)acetyl]-1H-pyrrole-3-carboxylate; oxalic acid Traditional Name: 2,4-dimethyl-5-[2-(3-morpholinopropylamino)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H33N3O12 MolecularWeight: 531.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CNCCCN2CCOCC2)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CNCCCN2CCOCC2)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3O4.2C2H2O4/c1-4-25-18(23)16-13(2)17(20-14(16)3)15(22)12-19-6-5-7-21-8-10-24-11-9-21;2*3-1(4)2(5)6/h19-20H,4-12H2,1-3H3;2*(H,3,4)(H,5,6)