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

Systemtic Name: 2-[(7-chloranyl-4-cyclobutyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-5-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-chloro-4-cyclobutyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carbonyl)amino]acetic acid CAS Name: 2-[[(7-chloro-4-cyclobutyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-5-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-chloro-4-cyclobutyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carbonyl)amino]acetic acid Traditional Name: 2-[(7-chloro-4-cyclobutyl-2-ethyl-3-keto-5H-1,4-benzoxazepine-5-carbonyl)amino]acetic acid Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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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)C3CCC3

Isomeric SMILES

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)C3CCC3

InChI

InChI=1S/C18H21ClN2O5/c1-2-13-18(25)21(11-4-3-5-11)16(17(24)20-9-15(22)23)12-8-10(19)6-7-14(12)26-13/h6-8,11,13,16H,2-5,9H2,1H3,(H,20,24)(H,22,23)