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

Systemtic Name: tert-butyl 2-[(3S,5R)-3-bromanyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S,5R)-3-bromo-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[(3S,5R)-3-bromo-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-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[(3S,5R)-3-bromo-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(CC(C1=O)Br)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO3/c1-22(2,3)27-20(25)14-24-19-12-8-7-11-16(19)17(13-18(23)21(24)26)15-9-5-4-6-10-15/h4-12,17-18H,13-14H2,1-3H3/t17-,18+/m1/s1