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

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-3-phenyl-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-[(4-methoxy-3-nitrobenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]-3-phenyl-2-(4-pyrrolidinopyrimidin-5-yl)propionic acid Formula: C25H25N5O6 MolecularWeight: 491.4959

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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)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)(C3=CN=CN=C3N4CCCC4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O6/c1-36-21-10-9-18(13-20(21)30(34)35)23(31)28-25(24(32)33,14-17-7-3-2-4-8-17)19-15-26-16-27-22(19)29-11-5-6-12-29/h2-4,7-10,13,15-16H,5-6,11-12,14H2,1H3,(H,28,31)(H,32,33)