[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] (2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2R)-5-chlorocoumaran-2-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C22H22ClNO5/c1-14(25)24-10-2-3-15-4-6-16(7-5-15)19(26)13-28-22(27)21-12-17-11-18(23)8-9-20(17)29-21/h4-9,11,21H,2-3,10,12-13H2,1H3,(H,24,25)/t21-/m1/s1