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

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-(2-ethylphenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-ethylphenoxy)phenyl]acrylic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCC3CCCC3

Isomeric SMILES

CCC1=CC=CC=C1OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCC3CCCC3

InChI

InChI=1S/C25H29NO4/c1-2-20-9-5-6-10-23(20)30-21-14-11-19(12-15-21)17-22(25(28)29)26-24(27)16-13-18-7-3-4-8-18/h5-6,9-12,14-15,17-18H,2-4,7-8,13,16H2,1H3,(H,26,27)(H,28,29)/b22-17+