2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)-3-[4-[(4-pyrrol-1-ylphenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)-3-[4-[(4-pyrrol-1-ylphenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-5-yl)-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]propanoic acid CAS Name: 2-[4-chloro-6-(1-pyrrolidinyl)-5-pyrimidinyl]-3-[4-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]phenyl]propanoic acid IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-5-yl)-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]propanoic acid Traditional Name: 2-(4-chloro-6-pyrrolidino-pyrimidin-5-yl)-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]propionic acid Formula: C28H26ClN5O3 MolecularWeight: 515.99074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)Cl)C(CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)Cl)C(CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N5C=CC=C5)C(=O)O

InChI

InChI=1S/C28H26ClN5O3/c29-25-24(26(31-18-30-25)34-15-3-4-16-34)23(28(36)37)17-19-5-9-21(10-6-19)32-27(35)20-7-11-22(12-8-20)33-13-1-2-14-33/h1-2,5-14,18,23H,3-4,15-17H2,(H,32,35)(H,36,37)