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

Systemtic Name: (E)-2-[3-(4-phenylbutanoylamino)phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-(4-phenylbutanoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-(4-phenylbutanoylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-(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=CC(=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c30-26(17-6-12-21-9-2-1-3-10-21)29-24-15-7-14-23(19-24)25(27(31)32)16-5-4-11-22-13-8-18-28-20-22/h1-4,7-11,13-15,18-20,25H,5-6,12,16-17H2,(H,29,30)(H,31,32)/b11-4+