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

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(2-ethylhexanoylamino)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(2-ethylhexanoylamino)prop-2-enoic acid CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-ethyl-1-oxohexyl)amino]-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(2-ethylhexanoylamino)prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-(2-ethylhexanoylamino)acrylic acid Formula: C23H26BrNO4 MolecularWeight: 460.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(=CC1=CC=C(C=C1)OC2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)N/C(=C\C1=CC=C(C=C1)OC2=CC=CC=C2Br)/C(=O)O

InChI

InChI=1S/C23H26BrNO4/c1-3-5-8-17(4-2)22(26)25-20(23(27)28)15-16-11-13-18(14-12-16)29-21-10-7-6-9-19(21)24/h6-7,9-15,17H,3-5,8H2,1-2H3,(H,25,26)(H,27,28)/b20-15-