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

Systemtic Name: (E)-3-[4-(2-tert-butyl-4-methyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-tert-butyl-4-methyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-tert-butyl-4-methylphenoxy)phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-tert-butyl-4-methylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-tert-butyl-4-methyl-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C28H35NO4 MolecularWeight: 449.5818

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO4/c1-19-9-15-25(23(17-19)28(2,3)4)33-22-13-10-21(11-14-22)18-24(27(31)32)29-26(30)16-12-20-7-5-6-8-20/h9-11,13-15,17-18,20H,5-8,12,16H2,1-4H3,(H,29,30)(H,31,32)/b24-18+