7-chloranyl-4-(furan-2-ylmethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-4-(furan-2-ylmethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 2-(tert-butoxymethyl)-7-chloro-4-(2-furylmethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-4-(2-furanylmethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-4-(furan-2-ylmethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 2-(tert-butoxymethyl)-7-chloro-4-(2-furfuryl)-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)CC3=CC=CO3

Isomeric SMILES

CC(C)(C)OCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)CC3=CC=CO3

InChI

InChI=1S/C20H22ClNO6/c1-20(2,3)27-11-16-18(23)22(10-13-5-4-8-26-13)17(19(24)25)14-9-12(21)6-7-15(14)28-16/h4-9,16-17H,10-11H2,1-3H3,(H,24,25)