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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H21ClO5 MolecularWeight: 376.83074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2)OC)OC

InChI

InChI=1S/C20H21ClO5/c1-12-6-18(23-2)19(24-3)9-14(12)10-26-20(22)15-7-13-8-16(21)4-5-17(13)25-11-15/h4-6,8-9,15H,7,10-11H2,1-3H3/t15-/m0/s1