2-methoxy-4-(5H-pyrido[2,3-b][1,5]benzoxazepin-6-ylcarbonyl)benzoic acid

Systemtic Name: 2-methoxy-4-(5H-pyrido[2,3-b][1,5]benzoxazepin-6-ylcarbonyl)benzoic acid Openeye Name: 2-methoxy-4-(5H-pyrido[2,3-b][1,5]benzoxazepine-6-carbonyl)benzoic acid CAS Name: 2-methoxy-4-[oxo(5H-pyrido[2,3-b][1,5]benzoxazepin-6-yl)methyl]benzoic acid IUPAC Name: 2-methoxy-4-(5H-pyrido[2,3-b][1,5]benzoxazepine-6-carbonyl)benzoic acid Traditional Name: 2-methoxy-4-(5H-pyrido[2,3-b][1,5]benzoxazepine-6-carbonyl)benzoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC3=C(N=CC=C3)OC4=CC=CC=C42)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC3=C(N=CC=C3)OC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C21H16N2O5/c1-27-18-11-13(8-9-15(18)21(25)26)20(24)23-12-14-5-4-10-22-19(14)28-17-7-3-2-6-16(17)23/h2-11H,12H2,1H3,(H,25,26)