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

Systemtic Name: (E)-2-[4-(4-phenylbutanoylamino)phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[4-(4-phenylbutanoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[4-[(1-oxo-4-phenylbutyl)amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[4-(4-phenylbutanoylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[4-(4-phenylbutanoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)C(CC/C=C/C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C27H28N2O3/c30-26(14-6-11-21-8-2-1-3-9-21)29-24-17-15-23(16-18-24)25(27(31)32)13-5-4-10-22-12-7-19-28-20-22/h1-4,7-10,12,15-20,25H,5-6,11,13-14H2,(H,29,30)(H,31,32)/b10-4+