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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid 2-phthalimidoethyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H25N3O5/c1-2-3-14-27-21-11-7-6-10-19(21)26-20(25(27)32)12-13-22(29)33-16-15-28-23(30)17-8-4-5-9-18(17)24(28)31/h4-11H,2-3,12-16H2,1H3