7-[3-fluoranyl-5-(methylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid

Systemtic Name: 7-[3-fluoranyl-5-(methylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Openeye Name: 7-[3-fluoro-5-(methylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid CAS Name: 7-[3-fluoro-5-(methylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid IUPAC Name: 7-[3-fluoro-5-(methylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Traditional Name: 7-[3-fluoro-5-(methylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid Formula: C19H18FNO4 MolecularWeight: 343.348923

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC(=C1)C2=CC(=C3C(=C2)CCCCO3)C(=O)O)F

Isomeric SMILES

CNC(=O)C1=CC(=CC(=C1)C2=CC(=C3C(=C2)CCCCO3)C(=O)O)F

InChI

InChI=1S/C19H18FNO4/c1-21-18(22)14-7-12(8-15(20)9-14)13-6-11-4-2-3-5-25-17(11)16(10-13)19(23)24/h6-10H,2-5H2,1H3,(H,21,22)(H,23,24)