methyl 1,3-bis(chloranyl)-8-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate

Systemtic Name: methyl 1,3-bis(chloranyl)-8-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate Openeye Name: methyl 1,3-dichloro-8-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate CAS Name: 1,3-dichloro-8-phenyl-5,7-dihydrobenzo[d][2]benzoxepin-5-carboxylic acid methyl ester IUPAC Name: methyl 1,3-dichloro-8-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate Traditional Name: 1,3-dichloro-8-phenyl-5,7-dihydrobenzo[d][2]benzoxepin-5-carboxylic acid methyl ester Formula: C22H16Cl2O3 MolecularWeight: 399.26664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC(=CC(=C2C3=CC=CC(=C3CO1)C4=CC=CC=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1C2=CC(=CC(=C2C3=CC=CC(=C3CO1)C4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2O3/c1-26-22(25)21-17-10-14(23)11-19(24)20(17)16-9-5-8-15(18(16)12-27-21)13-6-3-2-4-7-13/h2-11,21H,12H2,1H3