6-[3-(dibutylamino)phenyl]carbonyl-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[3-(dibutylamino)phenyl]carbonyl-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-[3-(dibutylamino)benzoyl]-1-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[[3-(dibutylamino)phenyl]-oxomethyl]-1-hydroxy-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-[3-(dibutylamino)benzoyl]-1-hydroxycyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[3-(dibutylamino)benzoyl]-1-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=CC(=C1)C(=O)C2C=CC=CC2(C(=O)O)O

Isomeric SMILES

CCCCN(CCCC)C1=CC=CC(=C1)C(=O)C2C=CC=CC2(C(=O)O)O

InChI

InChI=1S/C22H29NO4/c1-3-5-14-23(15-6-4-2)18-11-9-10-17(16-18)20(24)19-12-7-8-13-22(19,27)21(25)26/h7-13,16,19,27H,3-6,14-15H2,1-2H3,(H,25,26)