(4-methoxycarbonylphenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C19H17ClO5 MolecularWeight: 360.78828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C19H17ClO5/c1-23-18(21)13-4-2-12(3-5-13)10-25-19(22)15-8-14-9-16(20)6-7-17(14)24-11-15/h2-7,9,15H,8,10-11H2,1H3/t15-/m0/s1