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

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-(2-methylphenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylphenoxy)phenyl]acrylic acid Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCC3CCCC3

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCC3CCCC3

InChI

InChI=1S/C24H27NO4/c1-17-6-2-5-9-22(17)29-20-13-10-19(11-14-20)16-21(24(27)28)25-23(26)15-12-18-7-3-4-8-18/h2,5-6,9-11,13-14,16,18H,3-4,7-8,12,15H2,1H3,(H,25,26)(H,27,28)/b21-16+