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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(phenylcarbonyl)piperazine-2-carboxylic acid Openeye Name: 4-benzoyl-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-piperazine-2-carboxylic acid CAS Name: 4-benzoyl-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-2-piperazinecarboxylic acid IUPAC Name: 4-benzoyl-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)piperazine-2-carboxylic acid Traditional Name: 4-benzoyl-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-piperazine-2-carboxylic acid Formula: C28H36N2O5 MolecularWeight: 480.59584

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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)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H36N2O5/c1-19(2)17-28(26(33)34)18-29(24(31)20-10-8-7-9-11-20)14-15-30(28)25(32)21-12-13-22(27(3,4)5)23(16-21)35-6/h7-13,16,19H,14-15,17-18H2,1-6H3,(H,33,34)