ethyl 11-(pyridin-4-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: ethyl 11-(pyridin-4-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: ethyl 11-(4-pyridylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(pyridin-4-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester IUPAC Name: ethyl 11-(pyridin-4-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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