methyl (E,4S)-2-bromanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-2-enoate

Systemtic Name: methyl (E,4S)-2-bromanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-2-enoate Openeye Name: methyl (E,4S)-2-bromo-4-(tert-butoxycarbonylamino)-5-phenyl-pent-2-enoate CAS Name: (E,4S)-2-bromo-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4S)-2-bromo-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-2-bromo-4-(tert-butoxycarbonylamino)-5-phenyl-pent-2-enoic acid methyl ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=C(C(=O)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)/C=C(\C(=O)OC)/Br

InChI

InChI=1S/C17H22BrNO4/c1-17(2,3)23-16(21)19-13(11-14(18)15(20)22-4)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,19,21)/b14-11+/t13-/m0/s1