4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid 4-phthalimidobutyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20ClNO5/c23-16-7-8-19-14(12-16)11-15(13-29-19)22(27)28-10-4-3-9-24-20(25)17-5-1-2-6-18(17)21(24)26/h1-2,5-8,12,15H,3-4,9-11,13H2