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

Systemtic Name: 2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoic acid Openeye Name: 2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid CAS Name: 2-[11-(3-pyridinylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid IUPAC Name: 2-[11-(pyridin-3-ylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid Traditional Name: 2-[11-(3-pyridylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)CC(=O)O)NC4=CN=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)CC(=O)O)NC4=CN=CC=C4

InChI

InChI=1S/C21H18N2O3/c24-20(25)11-14-7-8-19-18(10-14)21(23-16-5-3-9-22-12-16)17-6-2-1-4-15(17)13-26-19/h1-10,12,21,23H,11,13H2,(H,24,25)