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

Systemtic Name: methyl 6-(2-chloroethyl)-7-methyl-5-(phenylmethoxymethyl)-3,4-dihydro-2H-chromene-8-carboxylate Openeye Name: methyl 5-(benzyloxymethyl)-6-(2-chloroethyl)-7-methyl-chromane-8-carboxylate CAS Name: 6-(2-chloroethyl)-7-methyl-5-(phenylmethoxymethyl)-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloroethyl)-7-methyl-5-(phenylmethoxymethyl)-3,4-dihydro-2H-chromene-8-carboxylate Traditional Name: 5-(benzoxymethyl)-6-(2-chloroethyl)-7-methyl-chroman-8-carboxylic acid methyl ester Formula: C22H25ClO4 MolecularWeight: 388.8845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CCCO2)C(=C1CCCl)COCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(CCCO2)C(=C1CCCl)COCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25ClO4/c1-15-17(10-11-23)19(14-26-13-16-7-4-3-5-8-16)18-9-6-12-27-21(18)20(15)22(24)25-2/h3-5,7-8H,6,9-14H2,1-2H3