methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate

Systemtic Name: methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate Openeye Name: methyl 2-[6-(tert-butoxycarbonylamino)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate CAS Name: 2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate Traditional Name: 2-[6-(tert-butoxycarbonylamino)-7-keto-5,6-dihydro-2H-azepin-1-yl]acetic acid methyl ester Formula: C14H22N2O5 MolecularWeight: 298.33488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC=CCN(C1=O)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC=CCN(C1=O)CC(=O)OC

InChI

InChI=1S/C14H22N2O5/c1-14(2,3)21-13(19)15-10-7-5-6-8-16(12(10)18)9-11(17)20-4/h5-6,10H,7-9H2,1-4H3,(H,15,19)