methyl 4-(4-chlorophenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate CAS Name: 4-(4-chlorophenyl)-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Traditional Name: 4-(4-chlorophenyl)-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester Formula: C22H17ClO3 MolecularWeight: 364.82158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClO3/c1-25-22(24)21-19-6-3-2-5-17(19)18-8-4-7-16(20(18)13-26-21)14-9-11-15(23)12-10-14/h2-12,21H,13H2,1H3