ethanedioic acid; 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: ethanedioic acid; 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: 3-[4-(2-hydroxyphenyl)-1-piperazinyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide; oxalic acid IUPAC Name: 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide; oxalic acid Traditional Name: 3-[4-(2-hydroxyphenyl)piperazino]-N-(3-keto-1,1-dimethyl-butyl)propionamide; oxalic acid Formula: C23H33N3O11 MolecularWeight: 527.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C2=CC=CC=C2O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C2=CC=CC=C2O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O3.2C2H2O4/c1-15(23)14-19(2,3)20-18(25)8-9-21-10-12-22(13-11-21)16-6-4-5-7-17(16)24;2*3-1(4)2(5)6/h4-7,24H,8-14H2,1-3H3,(H,20,25);2*(H,3,4)(H,5,6)