[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C27H19N3O5 MolecularWeight: 465.45686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C27H19N3O5/c31-24(29-23-10-4-9-22-20(23)8-5-13-28-22)16-35-27(34)18-11-12-19-21(14-18)26(33)30(25(19)32)15-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,29,31)