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

Systemtic Name: methyl (E)-3-[3-[(4-bromophenyl)methyl-cyclohexylcarbonyl-amino]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[(4-bromophenyl)methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(4-bromophenyl)methyl-[cyclohexyl(oxo)methyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[(4-bromophenyl)methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(4-bromobenzyl)-(cyclohexanecarbonyl)amino]phenyl]acrylic acid methyl ester Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)Br)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)/C=C/C1=CC(=CC=C1)N(CC2=CC=C(C=C2)Br)C(=O)C3CCCCC3

InChI

InChI=1S/C24H26BrNO3/c1-29-23(27)15-12-18-6-5-9-22(16-18)26(17-19-10-13-21(25)14-11-19)24(28)20-7-3-2-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3/b15-12+