2-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid

Systemtic Name: 2-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid Openeye Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid CAS Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid IUPAC Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid Traditional Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1CC4=CC=CC=C4C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1CC4=CC=CC=C4C(=O)O)C=C(C=C3)Cl

InChI

InChI=1S/C21H16ClNO3/c22-16-9-10-20-18(11-16)23(13-15-6-2-4-8-19(15)26-20)12-14-5-1-3-7-17(14)21(24)25/h1-11H,12-13H2,(H,24,25)