(E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2,3-dimethylphenoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2,3-dimethylphenoxy)phenyl]prop-2-enoate Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2,3-dimethylphenoxy)phenyl]prop-2-enoate CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-(2,3-dimethylphenoxy)phenyl]-2-propenoate IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2,3-dimethylphenoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2,3-dimethylphenoxy)phenyl]acrylate Formula: C25H28NO4- MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=CC=C(C=C2)C=C(C(=O)[O-])NC(=O)CCC3CCCC3)C

Isomeric SMILES

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

InChI

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