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

Systemtic Name: methyl 11-(1-pyridin-3-ylethoxy)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[1-(3-pyridyl)ethoxy]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[1-(3-pyridinyl)ethoxy]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(1-pyridin-3-ylethoxy)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[1-(3-pyridyl)ethoxy]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)OC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C1=CN=CC=C1)OC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H21NO4/c1-15(17-7-5-11-24-13-17)28-22-19-8-4-3-6-18(19)14-27-21-10-9-16(12-20(21)22)23(25)26-2/h3-13,15,22H,14H2,1-2H3