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

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

Isomeric SMILES

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

InChI

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