2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid 2-phthalimidoethyl ester Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H25N3O5/c33-26(37-19-18-32-27(34)21-10-4-5-11-22(21)28(32)35)15-14-24-29(36)31(17-16-20-8-2-1-3-9-20)25-13-7-6-12-23(25)30-24/h1-13H,14-19H2