tert-butyl (E)-3-[3-bromanyl-2-[2-iodanylethanoyl-[(4-methoxyphenyl)methyl]amino]-5-methyl-phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[3-bromanyl-2-[2-iodanylethanoyl-[(4-methoxyphenyl)methyl]amino]-5-methyl-phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[3-bromo-2-[(2-iodoacetyl)-[(4-methoxyphenyl)methyl]amino]-5-methyl-phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-2-[(2-iodo-1-oxoethyl)-[(4-methoxyphenyl)methyl]amino]-5-methylphenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[3-bromo-2-[(2-iodoacetyl)-[(4-methoxyphenyl)methyl]amino]-5-methylphenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-2-[(2-iodoacetyl)-p-anisyl-amino]-5-methyl-phenyl]acrylic acid tert-butyl ester Formula: C24H27BrINO4 MolecularWeight: 600.28395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=CC(=O)OC(C)(C)C)N(CC2=CC=C(C=C2)OC)C(=O)CI)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C/C(=O)OC(C)(C)C)N(CC2=CC=C(C=C2)OC)C(=O)CI)Br

InChI

InChI=1S/C24H27BrINO4/c1-16-12-18(8-11-22(29)31-24(2,3)4)23(20(25)13-16)27(21(28)14-26)15-17-6-9-19(30-5)10-7-17/h6-13H,14-15H2,1-5H3/b11-8+