1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-ethanoyl-2-(phenylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-ethanoyl-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 4-acetyl-2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)piperazine-2-carboxylic acid Traditional Name: 4-acetyl-2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CC(=O)N1CCN(C(C1)(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C26H32N2O5/c1-18(29)27-13-14-28(26(17-27,24(31)32)16-19-9-7-6-8-10-19)23(30)20-11-12-21(25(2,3)4)22(15-20)33-5/h6-12,15H,13-14,16-17H2,1-5H3,(H,31,32)