(7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-phthalimido-propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H21NO6 MolecularWeight: 467.46944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H21NO6/c1-17-11-12-20-19(15-25(30)35-24(20)13-17)16-34-28(33)23(14-18-7-3-2-4-8-18)29-26(31)21-9-5-6-10-22(21)27(29)32/h2-13,15,23H,14,16H2,1H3/t23-/m0/s1