(E)-2-fluoranyl-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate

Systemtic Name: (E)-2-fluoranyl-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate Openeye Name: (E)-2-fluoro-3-(1-isopropyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate CAS Name: (E)-2-fluoro-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-butenoate IUPAC Name: (E)-2-fluoro-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate Traditional Name: (E)-2-fluoro-3-(1-isopropyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate Formula: C17H21FNO2- MolecularWeight: 290.352543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCCC2=C1C=CC(=C2)C(=C(C(=O)[O-])F)C

Isomeric SMILES

CC(C)N1CCCCC2=C1C=CC(=C2)/C(=C(\C(=O)[O-])/F)/C

InChI

InChI=1S/C17H22FNO2/c1-11(2)19-9-5-4-6-14-10-13(7-8-15(14)19)12(3)16(18)17(20)21/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,21)/p-1/b16-12+