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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c30-26(16-6-11-21-9-2-1-3-10-21)29-24-14-7-12-22(19-24)25(15-4-5-17-27(31)32)23-13-8-18-28-20-23/h1-3,7-10,12-15,18-20H,4-6,11,16-17H2,(H,29,30)(H,31,32)/b25-15-