1-methyl-4-oxidanylidene-7-[[[1-(triphenylmethyl)imidazol-2-yl]amino]methyl]quinoline-3-carboxylic acid

Systemtic Name: 1-methyl-4-oxidanylidene-7-[[[1-(triphenylmethyl)imidazol-2-yl]amino]methyl]quinoline-3-carboxylic acid Openeye Name: 1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carboxylic acid CAS Name: 1-methyl-4-oxo-7-[[[1-(triphenylmethyl)-2-imidazolyl]amino]methyl]-3-quinolinecarboxylic acid IUPAC Name: 1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carboxylic acid Traditional Name: 4-keto-1-methyl-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carboxylic acid Formula: C34H28N4O3 MolecularWeight: 540.61112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C34H28N4O3/c1-37-23-29(32(40)41)31(39)28-18-17-24(21-30(28)37)22-36-33-35-19-20-38(33)34(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-21,23H,22H2,1H3,(H,35,36)(H,40,41)