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

Systemtic Name: (E)-6-[4-[2-(2-phenylethanoylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[4-[2-[(1-oxo-2-phenylethyl)amino]ethyl]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[4-[2-[(2-phenylacetyl)amino]ethyl]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)CC(=O)NCCC2=CC=C(C=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCC2=CC=C(C=C2)/C(=C\CCCC(=O)O)/C3=CN=CC=C3

InChI

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