sodium 4-[(3-imidazol-1-yl-6-methyl-1-oxidanyl-cyclohexa-2,4-dien-1-yl)methyl]-3,5-dimethyl-benzoate

Systemtic Name: sodium 4-[(3-imidazol-1-yl-6-methyl-1-oxidanyl-cyclohexa-2,4-dien-1-yl)methyl]-3,5-dimethyl-benzoate Openeye Name: sodium 4-[(1-hydroxy-3-imidazol-1-yl-6-methyl-cyclohexa-2,4-dien-1-yl)methyl]-3,5-dimethyl-benzoate CAS Name: sodium 4-[[1-hydroxy-3-(1-imidazolyl)-6-methyl-1-cyclohexa-2,4-dienyl]methyl]-3,5-dimethylbenzoate IUPAC Name: sodium 4-[(1-hydroxy-3-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-3,5-dimethylbenzoate Traditional Name: sodium 4-[(1-hydroxy-3-imidazol-1-yl-6-methyl-cyclohexa-2,4-dien-1-yl)methyl]-3,5-dimethyl-benzoate Formula: C20H21N2NaO3 MolecularWeight: 360.38211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=CC1(CC2=C(C=C(C=C2C)C(=O)[O-])C)O)N3C=CN=C3.[Na+]

Isomeric SMILES

CC1C=CC(=CC1(CC2=C(C=C(C=C2C)C(=O)[O-])C)O)N3C=CN=C3.[Na+]

InChI

InChI=1S/C20H22N2O3.Na/c1-13-8-16(19(23)24)9-14(2)18(13)11-20(25)10-17(5-4-15(20)3)22-7-6-21-12-22;/h4-10,12,15,25H,11H2,1-3H3,(H,23,24);/q;+1/p-1