[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[2-bromanylethanoyl-(phenylmethyl)amino]prop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[2-bromanylethanoyl-(phenylmethyl)amino]prop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-[benzyl-(2-bromoacetyl)amino]prop-2-enoate CAS Name: 2-[(2-bromo-1-oxoethyl)-(phenylmethyl)amino]-2-propenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[benzyl-(2-bromoacetyl)amino]prop-2-enoate Traditional Name: 2-[benzyl-(2-bromoacetyl)amino]acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H30BrNO3 MolecularWeight: 436.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=C)N(CC2=CC=CC=C2)C(=O)CBr)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=C)N(CC2=CC=CC=C2)C(=O)CBr)C(C)C

InChI

InChI=1S/C22H30BrNO3/c1-15(2)19-11-10-16(3)12-20(19)27-22(26)17(4)24(21(25)13-23)14-18-8-6-5-7-9-18/h5-9,15-16,19-20H,4,10-14H2,1-3H3/t16-,19+,20-/m1/s1