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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid 4-phthalimidobutyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H29N3O5/c1-2-3-16-29-23-13-7-6-12-21(23)28-22(27(29)34)14-15-24(31)35-18-9-8-17-30-25(32)19-10-4-5-11-20(19)26(30)33/h4-7,10-13H,2-3,8-9,14-18H2,1H3