11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid

Systemtic Name: 11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid Openeye Name: 11-(1-methyl-4-piperidylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid CAS Name: 11-(1-methyl-4-piperidinylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid IUPAC Name: 11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid Traditional Name: 11-(1-methyl-4-piperidylidene)-5H-[1]benzoxepino[4,3-b]pyridine-9-carboxylic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=C(C=CC(=C3)C(=O)O)OCC4=C2N=CC=C4)CC1

Isomeric SMILES

CN1CCC(=C2C3=C(C=CC(=C3)C(=O)O)OCC4=C2N=CC=C4)CC1

InChI

InChI=1S/C20H20N2O3/c1-22-9-6-13(7-10-22)18-16-11-14(20(23)24)4-5-17(16)25-12-15-3-2-8-21-19(15)18/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,23,24)