tert-butyl (E)-3-[4-[[(3-bromophenyl)-cyclohexylcarbonyl-amino]methyl]phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[4-[[(3-bromophenyl)-cyclohexylcarbonyl-amino]methyl]phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[4-[[3-bromo-N-(cyclohexanecarbonyl)anilino]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(3-bromo-N-[cyclohexyl(oxo)methyl]anilino)methyl]phenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[4-[[3-bromo-N-(cyclohexanecarbonyl)anilino]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[3-bromo-N-(cyclohexanecarbonyl)anilino]methyl]phenyl]acrylic acid tert-butyl ester Formula: C27H32BrNO3 MolecularWeight: 498.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC=C(C=C1)CN(C2=CC(=CC=C2)Br)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC=C(C=C1)CN(C2=CC(=CC=C2)Br)C(=O)C3CCCCC3

InChI

InChI=1S/C27H32BrNO3/c1-27(2,3)32-25(30)17-16-20-12-14-21(15-13-20)19-29(24-11-7-10-23(28)18-24)26(31)22-8-5-4-6-9-22/h7,10-18,22H,4-6,8-9,19H2,1-3H3/b17-16+