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

Systemtic Name: methyl 6-(2-chloroethyl)-7-phenyl-5-(phenylmethoxymethyl)-3,4-dihydro-2H-chromene-8-carboxylate Openeye Name: methyl 5-(benzyloxymethyl)-6-(2-chloroethyl)-7-phenyl-chromane-8-carboxylate CAS Name: 6-(2-chloroethyl)-7-phenyl-5-(phenylmethoxymethyl)-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloroethyl)-7-phenyl-5-(phenylmethoxymethyl)-3,4-dihydro-2H-chromene-8-carboxylate Traditional Name: 5-(benzoxymethyl)-6-(2-chloroethyl)-7-phenyl-chroman-8-carboxylic acid methyl ester Formula: C27H27ClO4 MolecularWeight: 450.95388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C2=C1OCCC2)COCC3=CC=CC=C3)CCCl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=C(C2=C1OCCC2)COCC3=CC=CC=C3)CCCl)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClO4/c1-30-27(29)25-24(20-11-6-3-7-12-20)21(14-15-28)23(22-13-8-16-32-26(22)25)18-31-17-19-9-4-2-5-10-19/h2-7,9-12H,8,13-18H2,1H3