4-[(E)-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(1-o-toluoylisonipecotoyl)hydrazono]methyl]benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23N3O4/c1-15-4-2-3-5-19(15)21(27)25-12-10-17(11-13-25)20(26)24-23-14-16-6-8-18(9-7-16)22(28)29/h2-9,14,17H,10-13H2,1H3,(H,24,26)(H,28,29)/b23-14+