(E)-3-[3-(4-chlorophenyl)propanoylamino]-2-phenyl-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-3-[3-(4-chlorophenyl)propanoylamino]-2-phenyl-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-3-[3-(4-chlorophenyl)propanoylamino]-2-phenyl-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-3-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-2-phenyl-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-3-[3-(4-chlorophenyl)propanoylamino]-2-phenyl-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-3-[3-(4-chlorophenyl)propanoylamino]-2-phenyl-6-(3-pyridyl)hex-5-enoic acid Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CC=CC2=CN=CC=C2)NC(=O)CCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C/C=C/C2=CN=CC=C2)NC(=O)CCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C26H25ClN2O3/c27-22-14-11-19(12-15-22)13-16-24(30)29-23(10-4-6-20-7-5-17-28-18-20)25(26(31)32)21-8-2-1-3-9-21/h1-9,11-12,14-15,17-18,23,25H,10,13,16H2,(H,29,30)(H,31,32)/b6-4+