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

Systemtic Name: 3-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid Openeye Name: 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid CAS Name: 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid IUPAC Name: 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid Traditional Name: 3-[(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(=C4)C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1CC4=CC=CC(=C4)C(=O)O)C=C(C=C3)Cl

InChI

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