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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 2-[(3-chloro-4-methoxy-benzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 2-[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-3-phenyl-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-[(3-chloro-4-methoxybenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 2-[(3-chloro-4-methoxy-benzoyl)amino]-3-phenyl-2-(4-pyrrolidinopyrimidin-5-yl)propionic acid Formula: C25H25ClN4O4 MolecularWeight: 480.9434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)(C3=CN=CN=C3N4CCCC4)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)(C3=CN=CN=C3N4CCCC4)C(=O)O)Cl

InChI

InChI=1S/C25H25ClN4O4/c1-34-21-10-9-18(13-20(21)26)23(31)29-25(24(32)33,14-17-7-3-2-4-8-17)19-15-27-16-28-22(19)30-11-5-6-12-30/h2-4,7-10,13,15-16H,5-6,11-12,14H2,1H3,(H,29,31)(H,32,33)