(E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-propan-2-yloxyphenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-propan-2-yloxyphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-isopropoxyphenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-(2-propan-2-yloxyphenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-propan-2-yloxyphenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-isopropoxyphenoxy)phenyl]acrylic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCC3CCCC3

Isomeric SMILES

CC(C)OC1=CC=CC=C1OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCC3CCCC3

InChI

InChI=1S/C26H31NO5/c1-18(2)31-23-9-5-6-10-24(23)32-21-14-11-20(12-15-21)17-22(26(29)30)27-25(28)16-13-19-7-3-4-8-19/h5-6,9-12,14-15,17-19H,3-4,7-8,13,16H2,1-2H3,(H,27,28)(H,29,30)/b22-17+