ethyl 7-bromanyl-2-(1-ethanoyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-2-methanoyl-heptanoate

Systemtic Name: ethyl 7-bromanyl-2-(1-ethanoyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-2-methanoyl-heptanoate Openeye Name: ethyl 2-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-7-bromo-2-formyl-heptanoate CAS Name: 2-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-7-bromo-2-formylheptanoic acid ethyl ester IUPAC Name: ethyl 2-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-7-bromo-2-formylheptanoate Traditional Name: 2-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-7-bromo-2-formyl-enanthic acid ethyl ester Formula: C22H30BrNO4 MolecularWeight: 452.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCBr)(C=O)C1=CC2=C(CCCCN2C(=O)C)C=C1

Isomeric SMILES

CCOC(=O)C(CCCCCBr)(C=O)C1=CC2=C(CCCCN2C(=O)C)C=C1

InChI

InChI=1S/C22H30BrNO4/c1-3-28-21(27)22(16-25,12-6-4-7-13-23)19-11-10-18-9-5-8-14-24(17(2)26)20(18)15-19/h10-11,15-16H,3-9,12-14H2,1-2H3