(E)-2-(3-cyclopentylpropanoylamino)-3-(6-phenoxypyridin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-(6-phenoxypyridin-3-yl)prop-2-enoic acid Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-(6-phenoxy-3-pyridyl)prop-2-enoic acid CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-(6-phenoxy-3-pyridinyl)-2-propenoic acid IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-(6-phenoxypyridin-3-yl)prop-2-enoic acid Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-(6-phenoxy-3-pyridyl)acrylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CN=C(C=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CN=C(C=C2)OC3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C22H24N2O4/c25-20(12-10-16-6-4-5-7-16)24-19(22(26)27)14-17-11-13-21(23-15-17)28-18-8-2-1-3-9-18/h1-3,8-9,11,13-16H,4-7,10,12H2,(H,24,25)(H,26,27)/b19-14+