methyl 11-(pyridin-3-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(pyridin-3-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(3-pyridylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(3-pyridinylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(pyridin-3-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(3-pyridylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2OCC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2OCC4=CN=CC=C4

InChI

InChI=1S/C22H19NO4/c1-25-22(24)16-8-9-20-19(11-16)21(27-13-15-5-4-10-23-12-15)18-7-3-2-6-17(18)14-26-20/h2-12,21H,13-14H2,1H3