sodium 3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinoline-8-carboxylate

Systemtic Name: sodium 3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinoline-8-carboxylate Openeye Name: sodium 3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-8-carboxylate CAS Name: sodium 3-[[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]methyl]-8-quinolinecarboxylate IUPAC Name: sodium 3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-8-carboxylate Traditional Name: sodium 3-[(2-p-toluoylpyrrol-1-yl)methyl]quinoline-8-carboxylate Formula: C23H17N2NaO3 MolecularWeight: 392.38245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=CN=C4C(=C3)C=CC=C4C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=CN=C4C(=C3)C=CC=C4C(=O)[O-].[Na+]

InChI

InChI=1S/C23H18N2O3.Na/c1-15-7-9-17(10-8-15)22(26)20-6-3-11-25(20)14-16-12-18-4-2-5-19(23(27)28)21(18)24-13-16;/h2-13H,14H2,1H3,(H,27,28);/q;+1/p-1