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

Systemtic Name: ethyl 7-bromanyl-2-[(1-ethanoyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)carbonyl]heptanoate Openeye Name: ethyl 2-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonyl)-7-bromo-heptanoate CAS Name: 2-[(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-oxomethyl]-7-bromoheptanoic acid ethyl ester IUPAC Name: ethyl 2-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonyl)-7-bromoheptanoate Traditional Name: 2-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonyl)-7-bromo-enanthic acid ethyl ester Formula: C22H30BrNO4 MolecularWeight: 452.3819

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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/c1-3-28-22(27)19(10-5-4-7-13-23)21(26)18-12-11-17-9-6-8-14-24(16(2)25)20(17)15-18/h11-12,15,19H,3-10,13-14H2,1-2H3