(E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(cycloheptylcarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(cycloheptylcarbonylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(cycloheptanecarbonylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[[cycloheptyl(oxo)methyl]amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(cycloheptanecarbonylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(cycloheptanecarbonylamino)acrylic acid Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CCCC(CC1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C23H24BrNO4/c24-19-9-5-6-10-21(19)29-18-13-11-16(12-14-18)15-20(23(27)28)25-22(26)17-7-3-1-2-4-8-17/h5-6,9-15,17H,1-4,7-8H2,(H,25,26)(H,27,28)/b20-15+