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

Systemtic Name: (Z)-3-[4-(2-bromanylphenoxy)phenyl]-2-(2-cyclopentylethanoylamino)prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-cyclopentylacetyl)amino]prop-2-enoic acid CAS Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-cyclopentyl-1-oxoethyl)amino]-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-cyclopentylacetyl)amino]prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-cyclopentylacetyl)amino]acrylic acid Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CCC(C1)CC(=O)N/C(=C\C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C22H22BrNO4/c23-18-7-3-4-8-20(18)28-17-11-9-16(10-12-17)13-19(22(26)27)24-21(25)14-15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6,14H2,(H,24,25)(H,26,27)/b19-13-