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

Systemtic Name: ethyl (E)-2-fluoranyl-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate Openeye Name: ethyl (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-butenoic acid ethyl ester IUPAC Name: ethyl (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-enoic acid ethyl ester Formula: C19H26FNO2 MolecularWeight: 319.413643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=CC2=C(C=C1)N(CCCC2)C(C)C)F

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C1=CC2=C(C=C1)N(CCCC2)C(C)C)/F

InChI

InChI=1S/C19H26FNO2/c1-5-23-19(22)18(20)14(4)15-9-10-17-16(12-15)8-6-7-11-21(17)13(2)3/h9-10,12-13H,5-8,11H2,1-4H3/b18-14+