(2R)-2-[(1R)-4-bromanyl-5-(methoxyamino)-1-pyridin-3-yl-1H-2-benzazepin-3-yl]propanoic acid

Systemtic Name: (2R)-2-[(1R)-4-bromanyl-5-(methoxyamino)-1-pyridin-3-yl-1H-2-benzazepin-3-yl]propanoic acid Openeye Name: (2R)-2-[(1R)-4-bromo-5-(methoxyamino)-1-(3-pyridyl)-1H-2-benzazepin-3-yl]propanoic acid CAS Name: (2R)-2-[(1R)-4-bromo-5-(methoxyamino)-1-(3-pyridinyl)-1H-2-benzazepin-3-yl]propanoic acid IUPAC Name: (2R)-2-[(1R)-4-bromo-5-(methoxyamino)-1-pyridin-3-yl-1H-2-benzazepin-3-yl]propanoic acid Traditional Name: (2R)-2-[(1R)-4-bromo-5-(methoxyamino)-1-(3-pyridyl)-1H-2-benzazepin-3-yl]propionic acid Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(C2=CC=CC=C2C(=C1Br)NOC)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C[C@H](C1=N[C@H](C2=CC=CC=C2C(=C1Br)NOC)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C19H18BrN3O3/c1-11(19(24)25)16-15(20)18(23-26-2)14-8-4-3-7-13(14)17(22-16)12-6-5-9-21-10-12/h3-11,17,23H,1-2H3,(H,24,25)/t11-,17+/m1/s1