2-[(7-chloranyl-4-cyclohexyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-5-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(7-chloranyl-4-cyclohexyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-5-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-chloro-4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carbonyl)amino]acetic acid CAS Name: 2-[[(7-chloro-4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-5-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-chloro-4-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carbonyl)amino]acetic acid Traditional Name: 2-[(7-chloro-4-cyclohexyl-2-ethyl-3-keto-5H-1,4-benzoxazepine-5-carbonyl)amino]acetic acid Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O5/c1-2-15-20(27)23(13-6-4-3-5-7-13)18(19(26)22-11-17(24)25)14-10-12(21)8-9-16(14)28-15/h8-10,13,15,18H,2-7,11H2,1H3,(H,22,26)(H,24,25)