(phenylmethyl) 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: benzyl 2-[3-(tert-butoxycarbonylamino)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azepanyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-azepan-1-yl]acetic acid benzyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O5/c1-20(2,3)27-19(25)21-16-11-7-8-12-22(18(16)24)13-17(23)26-14-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,21,25)