2-[(4-bromophenyl)carbonylamino]-2-[4-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-2-[4-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propanoic acid Openeye Name: 2-[(4-bromobenzoyl)amino]-2-[4-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propanoic acid CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(dimethylamino)-5-pyrimidinyl]-3-phenylpropanoic acid IUPAC Name: 2-[(4-bromobenzoyl)amino]-2-[4-(dimethylamino)pyrimidin-5-yl]-3-phenylpropanoic acid Traditional Name: 2-[(4-bromobenzoyl)amino]-2-[4-(dimethylamino)pyrimidin-5-yl]-3-phenyl-propionic acid Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC=C1C(CC2=CC=CC=C2)(C(=O)O)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=NC=NC=C1C(CC2=CC=CC=C2)(C(=O)O)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN4O3/c1-27(2)19-18(13-24-14-25-19)22(21(29)30,12-15-6-4-3-5-7-15)26-20(28)16-8-10-17(23)11-9-16/h3-11,13-14H,12H2,1-2H3,(H,26,28)(H,29,30)