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

Systemtic Name: ethyl 2-[5-acetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-acetoxy-3-(tert-butoxycarbonylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[5-acetyloxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-acetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[5-acetoxy-3-(tert-butoxycarbonylamino)-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O7/c1-6-28-18(25)12-23-16-10-8-7-9-14(16)17(29-13(2)24)11-15(19(23)26)22-20(27)30-21(3,4)5/h7-10,15,17H,6,11-12H2,1-5H3,(H,22,27)