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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(4-oxidanyl-4-oxidanylidene-butanoyl)-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(4-hydroxy-4-oxo-butanoyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(4-hydroxy-1,4-dioxobutyl)-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(4-hydroxy-4-oxobutanoyl)piperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(4-hydroxy-4-keto-butanoyl)piperazine-2-carboxylic acid Formula: C28H34N2O7 MolecularWeight: 510.57876

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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)CCC(=O)O)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)CCC(=O)O)OC

InChI

InChI=1S/C28H34N2O7/c1-27(2,3)21-11-10-20(16-22(21)37-4)25(34)30-15-14-29(23(31)12-13-24(32)33)18-28(30,26(35)36)17-19-8-6-5-7-9-19/h5-11,16H,12-15,17-18H2,1-4H3,(H,32,33)(H,35,36)