tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(tert-butoxycarbonylamino)-5-hydroxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[5-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-5-hydroxy-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O6/c1-20(2,3)28-17(25)12-23-15-10-8-7-9-13(15)16(24)11-14(18(23)26)22-19(27)29-21(4,5)6/h7-10,14,16,24H,11-12H2,1-6H3,(H,22,27)