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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid 2-phthalimidoethyl ester Formula: C20H16ClNO5 MolecularWeight: 385.79774

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H16ClNO5/c21-14-5-6-17-12(10-14)9-13(11-27-17)20(25)26-8-7-22-18(23)15-3-1-2-4-16(15)19(22)24/h1-6,10,13H,7-9,11H2/t13-/m0/s1