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

Systemtic Name: ethanedioic acid; N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-1-yl]-N-(1,1-dimethyl-3-oxo-butyl)propanamide; oxalic acid CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide; oxalic acid Traditional Name: 3-[4-[(E)-cinnamyl]piperazino]-N-(3-keto-1,1-dimethyl-butyl)propionamide; oxalic acid Formula: C26H37N3O10 MolecularWeight: 551.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)CC=CC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O2.2C2H2O4/c1-19(26)18-22(2,3)23-21(27)11-13-25-16-14-24(15-17-25)12-7-10-20-8-5-4-6-9-20;2*3-1(4)2(5)6/h4-10H,11-18H2,1-3H3,(H,23,27);2*(H,3,4)(H,5,6)/b10-7+;;