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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(3-oxidanyl-3-oxidanylidene-propanoyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(3-hydroxy-3-oxo-propanoyl)-2-isobutyl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(3-hydroxy-1,3-dioxopropyl)-2-(2-methylpropyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(3-hydroxy-3-oxopropanoyl)-2-(2-methylpropyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(3-hydroxy-3-keto-propanoyl)-2-isobutyl-piperazine-2-carboxylic acid Formula: C24H34N2O7 MolecularWeight: 462.53596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C(=O)CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C(=O)CC(=O)O)C(=O)O

InChI

InChI=1S/C24H34N2O7/c1-15(2)13-24(22(31)32)14-25(19(27)12-20(28)29)9-10-26(24)21(30)16-7-8-17(23(3,4)5)18(11-16)33-6/h7-8,11,15H,9-10,12-14H2,1-6H3,(H,28,29)(H,31,32)