3-[[3-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-[(o-tolylcarbamoylhydrazono)methyl]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-[[[(2-methylanilino)-oxomethyl]hydrazinylidene]methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[(o-tolylcarbamoylhydrazono)methyl]indol-1-yl]methyl]benzoic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H22N4O3/c1-17-7-2-4-11-22(17)27-25(32)28-26-14-20-16-29(23-12-5-3-10-21(20)23)15-18-8-6-9-19(13-18)24(30)31/h2-14,16H,15H2,1H3,(H,30,31)(H2,27,28,32)