[4-[4-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-butyl]phenyl] ethanoate

Systemtic Name: [4-[4-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-butyl]phenyl] ethanoate Openeye Name: [4-[4-bromo-2-(tert-butoxycarbonylamino)-3-oxo-butyl]phenyl] acetate CAS Name: acetic acid [4-[4-bromo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxobutyl]phenyl] ester IUPAC Name: [4-[4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]phenyl] acetate Traditional Name: acetic acid [4-[4-bromo-2-(tert-butoxycarbonylamino)-3-keto-butyl]phenyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)CBr)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(C(=O)CBr)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H22BrNO5/c1-11(20)23-13-7-5-12(6-8-13)9-14(15(21)10-18)19-16(22)24-17(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,19,22)