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

Systemtic Name: ethyl 2-[5-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-bromo-3-(tert-butoxycarbonylamino)-2-oxo-4-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[5-bromo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-4-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[5-bromo-3-(tert-butoxycarbonylamino)-2-keto-4-phenyl-4,5-dihydro-3H-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=C2C(C(C(C1=O)NC(=O)OC(C)(C)C)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(C(C(C1=O)NC(=O)OC(C)(C)C)C3=CC=CC=C3)Br

InChI

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