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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-methoxycarbonyl-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-methoxycarbonyl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-methoxycarbonyl-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-methoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-carbomethoxy-piperazine-2-carboxylic acid Formula: C26H32N2O6 MolecularWeight: 468.54208

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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)OC)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)OC)OC

InChI

InChI=1S/C26H32N2O6/c1-25(2,3)20-12-11-19(15-21(20)33-4)22(29)28-14-13-27(24(32)34-5)17-26(28,23(30)31)16-18-9-7-6-8-10-18/h6-12,15H,13-14,16-17H2,1-5H3,(H,30,31)