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

Systemtic Name: ethyl 11-(pyridin-3-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: ethyl 11-(3-pyridylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(3-pyridinylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester IUPAC Name: ethyl 11-(pyridin-3-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(3-pyridylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NCC4=CN=CC=C4

InChI

InChI=1S/C23H22N2O3/c1-2-27-23(26)17-9-10-21-20(12-17)22(25-14-16-6-5-11-24-13-16)19-8-4-3-7-18(19)15-28-21/h3-13,22,25H,2,14-15H2,1H3