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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(ethylcarbamoyl)-2-(2-methylpropyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(ethylcarbamoyl)-2-isobutyl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(ethylcarbamoyl)-2-(2-methylpropyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(ethylcarbamoyl)-2-(2-methylpropyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(ethylcarbamoyl)-2-isobutyl-piperazine-2-carboxylic acid Formula: C24H37N3O5 MolecularWeight: 447.56768

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(C(C1)(CC(C)C)C(=O)O)C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC

Isomeric SMILES

CCNC(=O)N1CCN(C(C1)(CC(C)C)C(=O)O)C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC

InChI

InChI=1S/C24H37N3O5/c1-8-25-22(31)26-11-12-27(24(15-26,21(29)30)14-16(2)3)20(28)17-9-10-18(23(4,5)6)19(13-17)32-7/h9-10,13,16H,8,11-12,14-15H2,1-7H3,(H,25,31)(H,29,30)