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

Systemtic Name: 2-[(4-nitrophenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 2-[(4-nitrobenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]amino]-3-phenyl-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-[(4-nitrobenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 2-[(4-nitrobenzoyl)amino]-3-phenyl-2-(4-pyrrolidinopyrimidin-5-yl)propionic acid Formula: C24H23N5O5 MolecularWeight: 461.46992

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

Isomeric SMILES

C1CCN(C1)C2=NC=NC=C2C(CC3=CC=CC=C3)(C(=O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O5/c30-22(18-8-10-19(11-9-18)29(33)34)27-24(23(31)32,14-17-6-2-1-3-7-17)20-15-25-16-26-21(20)28-12-4-5-13-28/h1-3,6-11,15-16H,4-5,12-14H2,(H,27,30)(H,31,32)