3-(dibutylamino)-1-oxidanyl-6-(phenylcarbonyl)cyclohexa-2,4-diene-1-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(C(C=C1)C(=O)C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CCCCN(CCCC)C1=CC(C(C=C1)C(=O)C2=CC=CC=C2)(C(=O)O)O

InChI

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