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

Systemtic Name: (2-methylphenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: o-tolylmethyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-phthalimido-propionic acid (2-methylbenzyl) ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1COC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21NO4/c1-17-9-5-6-12-19(17)16-30-25(29)22(15-18-10-3-2-4-11-18)26-23(27)20-13-7-8-14-21(20)24(26)28/h2-14,22H,15-16H2,1H3/t22-/m0/s1