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

Systemtic Name: (E)-2-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[4-[[(3-chloroanilino)-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O3/c25-19-7-3-8-21(15-19)28-24(31)27-20-12-10-18(11-13-20)22(23(29)30)9-2-1-5-17-6-4-14-26-16-17/h1,3-8,10-16,22H,2,9H2,(H,29,30)(H2,27,28,31)/b5-1+