1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O5/c1-16(23-28-22-10-6-5-9-20(22)24(31)29-23)35-27(34)18-11-12-19-21(15-18)26(33)30(25(19)32)14-13-17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3,(H,28,29,31)