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

Systemtic Name: 11-(pyridin-3-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(3-pyridylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(3-pyridinylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-(pyridin-3-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(3-pyridylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic 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)C(=O)O)NCC4=CN=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)NCC4=CN=CC=C4

InChI

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