2-[(3,4-dichlorophenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 2-[(3,4-dichlorobenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-3-phenyl-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-[(3,4-dichlorobenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 2-[(3,4-dichlorobenzoyl)amino]-3-phenyl-2-(4-pyrrolidinopyrimidin-5-yl)propionic acid Formula: C24H22Cl2N4O3 MolecularWeight: 485.36248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC=C2C(CC3=CC=CC=C3)(C(=O)O)NC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=NC=C2C(CC3=CC=CC=C3)(C(=O)O)NC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H22Cl2N4O3/c25-19-9-8-17(12-20(19)26)22(31)29-24(23(32)33,13-16-6-2-1-3-7-16)18-14-27-15-28-21(18)30-10-4-5-11-30/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,29,31)(H,32,33)