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

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(2-cyclopentylhexanoylamino)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(2-cyclopentylhexanoylamino)prop-2-enoic acid CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-cyclopentyl-1-oxohexyl)amino]-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(2-cyclopentylhexanoylamino)prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(2-cyclopentylhexanoylamino)acrylic acid Formula: C26H30BrNO4 MolecularWeight: 500.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCCC1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

CCCCC(C1CCCC1)C(=O)N/C(=C\C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C26H30BrNO4/c1-2-3-10-21(19-8-4-5-9-19)25(29)28-23(26(30)31)17-18-13-15-20(16-14-18)32-24-12-7-6-11-22(24)27/h6-7,11-17,19,21H,2-5,8-10H2,1H3,(H,28,29)(H,30,31)/b23-17-