7-chloranyl-4-cyclohexyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-4-cyclohexyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-4-cyclohexyl-2-ethyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C18H22ClNO4 MolecularWeight: 351.82458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)C3CCCCC3

Isomeric SMILES

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)C3CCCCC3

InChI

InChI=1S/C18H22ClNO4/c1-2-14-17(21)20(12-6-4-3-5-7-12)16(18(22)23)13-10-11(19)8-9-15(13)24-14/h8-10,12,14,16H,2-7H2,1H3,(H,22,23)