methyl 6-(2-chloroethyl)-5-(hydroxymethyl)-7-phenyl-3,4-dihydro-2H-chromene-8-carboxylate

Systemtic Name: methyl 6-(2-chloroethyl)-5-(hydroxymethyl)-7-phenyl-3,4-dihydro-2H-chromene-8-carboxylate Openeye Name: methyl 6-(2-chloroethyl)-5-(hydroxymethyl)-7-phenyl-chromane-8-carboxylate CAS Name: 6-(2-chloroethyl)-5-(hydroxymethyl)-7-phenyl-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloroethyl)-5-(hydroxymethyl)-7-phenyl-3,4-dihydro-2H-chromene-8-carboxylate Traditional Name: 6-(2-chloroethyl)-5-methylol-7-phenyl-chroman-8-carboxylic acid methyl ester Formula: C20H21ClO4 MolecularWeight: 360.83134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C2=C1OCCC2)CO)CCCl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=C(C2=C1OCCC2)CO)CCCl)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClO4/c1-24-20(23)18-17(13-6-3-2-4-7-13)14(9-10-21)16(12-22)15-8-5-11-25-19(15)18/h2-4,6-7,22H,5,8-12H2,1H3