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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(phenylcarbonyl)-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 4-benzoyl-2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid CAS Name: 4-benzoyl-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-benzoyl-2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)piperazine-2-carboxylic acid Traditional Name: 4-benzoyl-2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid Formula: C31H34N2O5 MolecularWeight: 514.61206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C31H34N2O5/c1-30(2,3)25-16-15-24(19-26(25)38-4)28(35)33-18-17-32(27(34)23-13-9-6-10-14-23)21-31(33,29(36)37)20-22-11-7-5-8-12-22/h5-16,19H,17-18,20-21H2,1-4H3,(H,36,37)