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

Systemtic Name: (E)-6-[4-[(4-chlorophenyl)carbonylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[4-[(4-chlorobenzoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[4-[(4-chlorobenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[4-[(4-chlorobenzoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H21ClN2O3 MolecularWeight: 420.88814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=CCCCC(=O)O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O3/c25-20-11-7-18(8-12-20)24(30)27-21-13-9-17(10-14-21)22(5-1-2-6-23(28)29)19-4-3-15-26-16-19/h3-5,7-16H,1-2,6H2,(H,27,30)(H,28,29)/b22-5+