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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(phenylcarbamoyl)-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 4-[anilino(oxo)methyl]-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylic acid Formula: C31H35N3O5 MolecularWeight: 529.6267

Click to see the large picture

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)NC4=CC=CC=C4)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)NC4=CC=CC=C4)OC

InChI

InChI=1S/C31H35N3O5/c1-30(2,3)25-16-15-23(19-26(25)39-4)27(35)34-18-17-33(29(38)32-24-13-9-6-10-14-24)21-31(34,28(36)37)20-22-11-7-5-8-12-22/h5-16,19H,17-18,20-21H2,1-4H3,(H,32,38)(H,36,37)