(E)-3-[4-(2-bromanyl-4-methyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-bromanyl-4-methyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromo-4-methyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-bromo-4-methylphenoxy)phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromo-4-methylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-bromo-4-methyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCC3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCC3CCCC3)Br

InChI

InChI=1S/C24H26BrNO4/c1-16-6-12-22(20(25)14-16)30-19-10-7-18(8-11-19)15-21(24(28)29)26-23(27)13-9-17-4-2-3-5-17/h6-8,10-12,14-15,17H,2-5,9,13H2,1H3,(H,26,27)(H,28,29)/b21-15+