ethyl 2-[(3S,5R)-7-bromanyl-1-(2,2-dimethylpropyl)-2-oxidanylidene-5-pyridin-2-yl-5H-4,1-benzoxazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S,5R)-7-bromanyl-1-(2,2-dimethylpropyl)-2-oxidanylidene-5-pyridin-2-yl-5H-4,1-benzoxazepin-3-yl]ethanoate Openeye Name: ethyl 2-[(3S,5R)-7-bromo-1-(2,2-dimethylpropyl)-2-oxo-5-(2-pyridyl)-5H-4,1-benzoxazepin-3-yl]acetate CAS Name: 2-[(3S,5R)-7-bromo-1-(2,2-dimethylpropyl)-2-oxo-5-(2-pyridinyl)-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,5R)-7-bromo-1-(2,2-dimethylpropyl)-2-oxo-5-pyridin-2-yl-5H-4,1-benzoxazepin-3-yl]acetate Traditional Name: 2-[(3S,5R)-7-bromo-2-keto-1-neopentyl-5-(2-pyridyl)-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester Formula: C23H27BrN2O4 MolecularWeight: 475.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Br)C(O1)C3=CC=CC=N3)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C[C@H]1C(=O)N(C2=C(C=C(C=C2)Br)[C@@H](O1)C3=CC=CC=N3)CC(C)(C)C

InChI

InChI=1S/C23H27BrN2O4/c1-5-29-20(27)13-19-22(28)26(14-23(2,3)4)18-10-9-15(24)12-16(18)21(30-19)17-8-6-7-11-25-17/h6-12,19,21H,5,13-14H2,1-4H3/t19-,21+/m0/s1