methyl 2-ethylbenzo[b][1]benzoxepine-5-carboxylate

Systemtic Name: methyl 2-ethylbenzo[b][1]benzoxepine-5-carboxylate Openeye Name: methyl 2-ethylbenzo[b][1]benzoxepine-5-carboxylate CAS Name: 2-ethyl-5-benzo[b][1]benzoxepincarboxylic acid methyl ester IUPAC Name: methyl 2-ethylbenzo[b][1]benzoxepine-5-carboxylate Traditional Name: 2-ethylbenzo[b][1]benzoxepin-5-carboxylic acid methyl ester Formula: C18H16O3 MolecularWeight: 280.31784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC3=CC=CC=C3O2)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC3=CC=CC=C3O2)C(=O)OC

InChI

InChI=1S/C18H16O3/c1-3-12-8-9-14-15(18(19)20-2)11-13-6-4-5-7-16(13)21-17(14)10-12/h4-11H,3H2,1-2H3