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

Systemtic Name: 3-[4-[(4-methoxy-3-nitro-phenyl)carbonylamino]phenyl]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 3-[4-[(4-methoxy-3-nitro-benzoyl)amino]phenyl]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 3-[4-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]phenyl]-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 3-[4-[(4-methoxy-3-nitro-benzoyl)amino]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)NC2=CC=C(C=C2)CC(C3=CN=CN=C3N4CCCC4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(C3=CN=CN=C3N4CCCC4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O6/c1-36-22-9-6-17(13-21(22)30(34)35)24(31)28-18-7-4-16(5-8-18)12-19(25(32)33)20-14-26-15-27-23(20)29-10-2-3-11-29/h4-9,13-15,19H,2-3,10-12H2,1H3,(H,28,31)(H,32,33)