phenyl 1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: phenyl 1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: phenyl 1-[(1,3-dioxoisoindolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid phenyl ester IUPAC Name: phenyl 1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(phthalimidomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid phenyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O4/c28-23-20-12-6-7-13-21(20)24(29)27(23)16-22-19-11-5-4-8-17(19)14-15-26(22)25(30)31-18-9-2-1-3-10-18/h1-13,22H,14-16H2