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

Systemtic Name: (E)-2-[4-[(3-chlorophenyl)carbonylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[4-[(3-chlorobenzoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[4-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[4-[(3-chlorobenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[4-[(3-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(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O3/c25-20-8-3-7-19(15-20)23(28)27-21-12-10-18(11-13-21)22(24(29)30)9-2-1-5-17-6-4-14-26-16-17/h1,3-8,10-16,22H,2,9H2,(H,27,28)(H,29,30)/b5-1+