butane; methyl 2-[4-[(2-chloranyl-4-methanoyl-imidazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: butane; methyl 2-[4-[(2-chloranyl-4-methanoyl-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: butane; methyl 2-[4-[(2-chloro-4-formyl-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: butane; 2-[4-[(2-chloro-4-formyl-1-imidazolyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: butane; methyl 2-[4-[(2-chloro-4-formylimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-chloro-4-formyl-imidazol-1-yl)methyl]phenyl]benzoic acid methyl ester; n-butane Formula: C23H25ClN2O3 MolecularWeight: 412.9092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C=C(N=C3Cl)C=O

Isomeric SMILES

CCCC.COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C=C(N=C3Cl)C=O

InChI

InChI=1S/C19H15ClN2O3.C4H10/c1-25-18(24)17-5-3-2-4-16(17)14-8-6-13(7-9-14)10-22-11-15(12-23)21-19(22)20;1-3-4-2/h2-9,11-12H,10H2,1H3;3-4H2,1-2H3