(5-ethanoyl-2-ethoxy-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H21ClO5/c1-3-25-20-6-4-14(13(2)23)8-16(20)11-27-21(24)17-9-15-10-18(22)5-7-19(15)26-12-17/h4-8,10,17H,3,9,11-12H2,1-2H3