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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(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 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C)C=C1

InChI

InChI=1S/C23H22N4O4/c1-14-7-8-21-26-17(10-22(29)27(21)12-14)13-31-23(30)20(25-15(2)28)9-16-11-24-19-6-4-3-5-18(16)19/h3-8,10-12,20,24H,9,13H2,1-2H3,(H,25,28)