(Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(3-cyclohexylpropanoylamino)prop-2-enoic acid

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(3-cyclohexylpropanoylamino)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-cyclohexylpropanoylamino)prop-2-enoic acid CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(3-cyclohexyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-cyclohexylpropanoylamino)prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(3-cyclohexylpropanoylamino)acrylic acid Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCC(=O)N/C(=C\C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C24H26BrNO4/c25-20-8-4-5-9-22(20)30-19-13-10-18(11-14-19)16-21(24(28)29)26-23(27)15-12-17-6-2-1-3-7-17/h4-5,8-11,13-14,16-17H,1-3,6-7,12,15H2,(H,26,27)(H,28,29)/b21-16-