ethanedioic acid; 2-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide; oxalic acid CAS Name: 2-(4-ethyl-1-piperazinyl)-N-(4-phenoxyphenyl)propanamide; oxalic acid IUPAC Name: 2-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide; oxalic acid Traditional Name: 2-(4-ethylpiperazino)-N-(4-phenoxyphenyl)propionamide; oxalic acid Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O2.C2H2O4/c1-3-23-13-15-24(16-14-23)17(2)21(25)22-18-9-11-20(12-10-18)26-19-7-5-4-6-8-19;3-1(4)2(5)6/h4-12,17H,3,13-16H2,1-2H3,(H,22,25);(H,3,4)(H,5,6)