sodium 2-[6-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]quinolin-2-yl]benzoate

Systemtic Name: sodium 2-[6-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]quinolin-2-yl]benzoate Openeye Name: sodium 2-[6-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-2-quinolyl]benzoate CAS Name: sodium 2-[6-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-2-quinolinyl]benzoate IUPAC Name: sodium 2-[6-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]quinolin-2-yl]benzoate Traditional Name: sodium 2-[6-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-2-quinolyl]benzoate Formula: C25H21ClN3NaO3 MolecularWeight: 469.89531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=O)Cl.[Na+]

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=O)Cl.[Na+]

InChI

InChI=1S/C25H22ClN3O3.Na/c1-2-3-8-23-28-24(26)22(15-30)29(23)14-16-9-11-20-17(13-16)10-12-21(27-20)18-6-4-5-7-19(18)25(31)32;/h4-7,9-13,15H,2-3,8,14H2,1H3,(H,31,32);/q;+1/p-1