1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-4-tert-butoxycarbonyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 2-benzyl-4-tert-butoxycarbonyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid Formula: C29H38N2O6 MolecularWeight: 510.62182

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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(C)(C)C)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(C)(C)C)OC

InChI

InChI=1S/C29H38N2O6/c1-27(2,3)22-14-13-21(17-23(22)36-7)24(32)31-16-15-30(26(35)37-28(4,5)6)19-29(31,25(33)34)18-20-11-9-8-10-12-20/h8-14,17H,15-16,18-19H2,1-7H3,(H,33,34)