(E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-oxidanylcyclohexyl)oxyphenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-oxidanylcyclohexyl)oxyphenyl]prop-2-enoic acid Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-hydroxycyclohexoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-hydroxycyclohexyl)oxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-hydroxycyclohexoxy)phenyl]acrylic acid Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(C=C2)OC3CCCCC3O)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)OC3CCCCC3O)/C(=O)O

InChI

InChI=1S/C23H31NO5/c25-20-7-3-4-8-21(20)29-18-12-9-17(10-13-18)15-19(23(27)28)24-22(26)14-11-16-5-1-2-6-16/h9-10,12-13,15-16,20-21,25H,1-8,11,14H2,(H,24,26)(H,27,28)/b19-15+