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

Systemtic Name: 3-[4-[(4-phenoxyphenyl)carbonylamino]phenyl]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 3-[4-[(4-phenoxybenzoyl)amino]phenyl]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 3-[4-[[oxo-(4-phenoxyphenyl)methyl]amino]phenyl]-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[4-[(4-phenoxybenzoyl)amino]phenyl]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 3-[4-[(4-phenoxybenzoyl)amino]phenyl]-2-(4-pyrrolidinopyrimidin-5-yl)propionic acid Formula: C30H28N4O4 MolecularWeight: 508.56772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC=C2C(CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC=NC=C2C(CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H28N4O4/c35-29(22-10-14-25(15-11-22)38-24-6-2-1-3-7-24)33-23-12-8-21(9-13-23)18-26(30(36)37)27-19-31-20-32-28(27)34-16-4-5-17-34/h1-3,6-15,19-20,26H,4-5,16-18H2,(H,33,35)(H,36,37)