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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-4-pyrimidin-2-yl-piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-pyrimidin-2-yl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-4-(2-pyrimidinyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(2-pyrimidyl)piperazine-2-carboxylic acid Formula: C28H32N4O4 MolecularWeight: 488.57808

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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)C4=NC=CC=N4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CC=CC=C3)C(=O)O)C4=NC=CC=N4)OC

InChI

InChI=1S/C28H32N4O4/c1-27(2,3)22-12-11-21(17-23(22)36-4)24(33)32-16-15-31(26-29-13-8-14-30-26)19-28(32,25(34)35)18-20-9-6-5-7-10-20/h5-14,17H,15-16,18-19H2,1-4H3,(H,34,35)