ethyl 2-[4-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4-phenyl-3,5-dihydro-1-benzazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4-phenyl-3,5-dihydro-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[4-bromo-3-(tert-butoxycarbonylamino)-2-oxo-4-phenyl-3,5-dihydro-1-benzazepin-1-yl]acetate CAS Name: 2-[4-bromo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-4-phenyl-3,5-dihydro-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenyl-3,5-dihydro-1-benzazepin-1-yl]acetate Traditional Name: 2-[4-bromo-3-(tert-butoxycarbonylamino)-2-keto-4-phenyl-3,5-dihydro-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CC(C(C1=O)NC(=O)OC(C)(C)C)(C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CC(C(C1=O)NC(=O)OC(C)(C)C)(C3=CC=CC=C3)Br

InChI

InChI=1S/C25H29BrN2O5/c1-5-32-20(29)16-28-19-14-10-9-11-17(19)15-25(26,18-12-7-6-8-13-18)21(22(28)30)27-23(31)33-24(2,3)4/h6-14,21H,5,15-16H2,1-4H3,(H,27,31)