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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(3-oxidanyl-3-oxidanylidene-propanoyl)-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(3-hydroxy-3-oxo-propanoyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(3-hydroxy-1,3-dioxopropyl)-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(3-hydroxy-3-oxopropanoyl)piperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(3-hydroxy-3-keto-propanoyl)piperazine-2-carboxylic acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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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)CC(=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)CC(=O)O)OC

InChI

InChI=1S/C27H32N2O7/c1-26(2,3)20-11-10-19(14-21(20)36-4)24(33)29-13-12-28(22(30)15-23(31)32)17-27(29,25(34)35)16-18-8-6-5-7-9-18/h5-11,14H,12-13,15-17H2,1-4H3,(H,31,32)(H,34,35)