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

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methoxy-4-methyl-phenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methoxy-4-methyl-phenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-(2-methoxy-4-methylphenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methoxy-4-methylphenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methoxy-4-methyl-phenoxy)phenyl]acrylic acid Formula: C25H29NO5 MolecularWeight: 423.50146

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-17-7-13-22(23(15-17)30-2)31-20-11-8-19(9-12-20)16-21(25(28)29)26-24(27)14-10-18-5-3-4-6-18/h7-9,11-13,15-16,18H,3-6,10,14H2,1-2H3,(H,26,27)(H,28,29)/b21-16+