2-[2-oxidanylidene-3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-1,3-diazinan-1-yl]propanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-1,3-diazinan-1-yl]propanoic acid Openeye Name: 2-[2-oxo-3-[4-[(2-phenyl-4-quinolyl)methoxy]phenyl]hexahydropyrimidin-1-yl]propanoic acid CAS Name: 2-[2-oxo-3-[4-[(2-phenyl-4-quinolinyl)methoxy]phenyl]-1,3-diazinan-1-yl]propanoic acid IUPAC Name: 2-[2-oxo-3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-1,3-diazinan-1-yl]propanoic acid Traditional Name: 2-[2-keto-3-[4-[(2-phenyl-4-quinolyl)methoxy]phenyl]hexahydropyrimidin-1-yl]propionic acid Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCN(C1=O)C2=CC=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)O)N1CCCN(C1=O)C2=CC=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4/c1-20(28(33)34)31-16-7-17-32(29(31)35)23-12-14-24(15-13-23)36-19-22-18-27(21-8-3-2-4-9-21)30-26-11-6-5-10-25(22)26/h2-6,8-15,18,20H,7,16-17,19H2,1H3,(H,33,34)