(Z)-7-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (Z)-7-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (Z)-7-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (Z)-7-[3-[[(3-chloroanilino)-oxomethyl]amino]phenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (Z)-7-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (Z)-7-[3-[(3-chlorophenyl)carbamoylamino]phenyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3/c26-20-9-5-11-22(16-20)29-25(32)28-21-10-4-7-18(15-21)23(19-8-6-14-27-17-19)12-2-1-3-13-24(30)31/h4-12,14-17H,1-3,13H2,(H,30,31)(H2,28,29,32)/b23-12-