5-[(Z)-[[2-(butylamino)-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]-2-phenylmethoxy-benzoic acid

Systemtic Name: 5-[(Z)-[[2-(butylamino)-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[(Z)-[[2-(butylamino)-2-oxo-acetyl]hydrazono]methyl]benzoic acid CAS Name: 5-[(Z)-[[2-(butylamino)-1,2-dioxoethyl]hydrazinylidene]methyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[(Z)-[[2-(butylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[(Z)-[[2-(butylamino)-2-keto-acetyl]hydrazono]methyl]benzoic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=O)NN=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCNC(=O)C(=O)N/N=C\C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23N3O5/c1-2-3-11-22-19(25)20(26)24-23-13-16-9-10-18(17(12-16)21(27)28)29-14-15-7-5-4-6-8-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,25)(H,24,26)(H,27,28)/b23-13-