4-(3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid Openeye Name: 4-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid CAS Name: 4-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid Traditional Name: 4-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid Formula: C19H18ClFN2O3 MolecularWeight: 376.809223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C19H18ClFN2O3/c20-13-1-3-17-12(9-13)10-16(15-11-14(21)2-4-18(15)26-17)22-5-7-23(8-6-22)19(24)25/h1-4,9,11,16H,5-8,10H2,(H,24,25)