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

Systemtic Name: methyl 3-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoate Openeye Name: methyl 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoate CAS Name: 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoate Traditional Name: 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzoic acid methyl ester Formula: C22H18ClNO3 MolecularWeight: 379.83622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C22H18ClNO3/c1-26-22(25)16-7-4-5-15(11-16)13-24-14-17-6-2-3-8-20(17)27-21-10-9-18(23)12-19(21)24/h2-12H,13-14H2,1H3