tert-butyl 2-[(3S,5R)-3-bromanyl-8-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S,5R)-3-bromanyl-8-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S,5R)-3-bromo-8-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[(3S,5R)-3-bromo-8-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S,5R)-3-bromo-8-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[(3S,5R)-3-bromo-8-chloro-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C22H23BrClNO3 MolecularWeight: 464.77992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=CC(=C2)Cl)C(CC(C1=O)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=CC(=C2)Cl)[C@H](C[C@@H](C1=O)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H23BrClNO3/c1-22(2,3)28-20(26)13-25-19-11-15(24)9-10-16(19)17(12-18(23)21(25)27)14-7-5-4-6-8-14/h4-11,17-18H,12-13H2,1-3H3/t17-,18+/m1/s1