4-[(E)-[[1-(3-methoxyphenyl)carbonylpiperidin-4-yl]carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[[1-(3-methoxyphenyl)carbonylpiperidin-4-yl]carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[[1-[(3-methoxyphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(1-m-anisoylisonipecotoyl)hydrazono]methyl]benzoic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23N3O5/c1-30-19-4-2-3-18(13-19)21(27)25-11-9-16(10-12-25)20(26)24-23-14-15-5-7-17(8-6-15)22(28)29/h2-8,13-14,16H,9-12H2,1H3,(H,24,26)(H,28,29)/b23-14+