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

Systemtic Name: methyl (E)-3-[3-[(3-bromophenyl)methyl-cyclohexylcarbonyl-amino]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[(3-bromophenyl)methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(3-bromophenyl)methyl-[cyclohexyl(oxo)methyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[(3-bromophenyl)methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(3-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(=CC=C2)Br)C(=O)C3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO3/c1-29-23(27)14-13-18-7-6-12-22(16-18)26(17-19-8-5-11-21(25)15-19)24(28)20-9-3-2-4-10-20/h5-8,11-16,20H,2-4,9-10,17H2,1H3/b14-13+