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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(phenylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-(phenylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 4-[anilino(oxo)methyl]-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-4-(phenylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-(phenylcarbamoyl)piperazine-2-carboxylic acid Formula: C28H37N3O5 MolecularWeight: 495.61048

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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)NC3=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)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H37N3O5/c1-19(2)17-28(25(33)34)18-30(26(35)29-21-10-8-7-9-11-21)14-15-31(28)24(32)20-12-13-22(27(3,4)5)23(16-20)36-6/h7-13,16,19H,14-15,17-18H2,1-6H3,(H,29,35)(H,33,34)