(E)-3-[4-(2-tert-butylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-tert-butylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-tert-butylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-tert-butylphenoxy)phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-tert-butylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-tert-butylphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCC3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCC3CCCC3

InChI

InChI=1S/C27H33NO4/c1-27(2,3)22-10-6-7-11-24(22)32-21-15-12-20(13-16-21)18-23(26(30)31)28-25(29)17-14-19-8-4-5-9-19/h6-7,10-13,15-16,18-19H,4-5,8-9,14,17H2,1-3H3,(H,28,29)(H,30,31)/b23-18+