(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate CAS Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate Traditional Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C27H22FN3O3/c1-17-7-11-24-29-20(14-25(32)31(24)15-17)16-34-26(33)12-9-21-22-13-19(28)8-10-23(22)30-27(21)18-5-3-2-4-6-18/h2-8,10-11,13-15,30H,9,12,16H2,1H3