4-[[2,6-bis(fluoranyl)phenyl]methyl]-9-ethoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[[2,6-bis(fluoranyl)phenyl]methyl]-9-ethoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(2,6-difluorophenyl)methyl]-9-ethoxy-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(2,6-difluorophenyl)methyl]-9-ethoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(2,6-difluorophenyl)methyl]-9-ethoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(2,6-difluorobenzyl)-9-ethoxy-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H23F2NO5 MolecularWeight: 419.418526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CC3=C(C=CC=C3F)F)C(C)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CC3=C(C=CC=C3F)F)C(C)C

InChI

InChI=1S/C22H23F2NO5/c1-4-29-17-10-5-7-13-18(22(27)28)25(11-14-15(23)8-6-9-16(14)24)21(26)19(12(2)3)30-20(13)17/h5-10,12,18-19H,4,11H2,1-3H3,(H,27,28)