2-[4-[(6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]-4-chloranyl-benzoic acid

Systemtic Name: 2-[4-[(6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]-4-chloranyl-benzoic acid Openeye Name: 2-[4-[(6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]-4-chloro-benzoic acid CAS Name: 2-[4-[(6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]-4-chlorobenzoic acid IUPAC Name: 2-[4-[(6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]-4-chlorobenzoic acid Traditional Name: 2-[4-[(6-butyl-4-keto-1H-pyrimidin-5-yl)methyl]phenyl]-4-chloro-benzoic acid Formula: C22H21ClN2O3 MolecularWeight: 396.86674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C22H21ClN2O3/c1-2-3-4-20-19(21(26)25-13-24-20)11-14-5-7-15(8-6-14)18-12-16(23)9-10-17(18)22(27)28/h5-10,12-13H,2-4,11H2,1H3,(H,27,28)(H,24,25,26)