methyl 2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate

Systemtic Name: methyl 2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[11-(3-pyridinylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC4=CN=CC=C4

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC4=CN=CC=C4

InChI

InChI=1S/C22H20N2O3/c1-26-21(25)12-15-8-9-20-19(11-15)22(24-17-6-4-10-23-13-17)18-7-3-2-5-16(18)14-27-20/h2-11,13,22,24H,12,14H2,1H3