methyl 3,9-dimethylbenzo[b][1]benzoxepine-6-carboxylate

Systemtic Name: methyl 3,9-dimethylbenzo[b][1]benzoxepine-6-carboxylate Openeye Name: methyl 3,9-dimethylbenzo[b][1]benzoxepine-6-carboxylate CAS Name: 3,9-dimethyl-6-benzo[b][1]benzoxepincarboxylic acid methyl ester IUPAC Name: methyl 3,9-dimethylbenzo[b][1]benzoxepine-6-carboxylate Traditional Name: 3,9-dimethylbenzo[b][1]benzoxepin-6-carboxylic acid methyl ester Formula: C18H16O3 MolecularWeight: 280.31784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)C(=C2)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)C(=C2)C(=O)OC

InChI

InChI=1S/C18H16O3/c1-11-5-7-16-13(8-11)10-15(18(19)20-3)14-6-4-12(2)9-17(14)21-16/h4-10H,1-3H3