N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide; ethanedioic acid Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide; oxalic acid CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethyl-1-piperazinyl)propanamide; oxalic acid IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide; oxalic acid Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazino)propionamide; oxalic acid Formula: C21H29N3O11 MolecularWeight: 499.46846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O3.2C2H2O4/c1-2-19-7-9-20(10-8-19)6-5-17(21)18-14-3-4-15-16(13-14)23-12-11-22-15;2*3-1(4)2(5)6/h3-4,13H,2,5-12H2,1H3,(H,18,21);2*(H,3,4)(H,5,6)