6-[[2,4-di(propan-2-yl)phenyl]carbonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[[2,4-di(propan-2-yl)phenyl]carbonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(2,4-diisopropylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[[[2,4-di(propan-2-yl)phenyl]-oxomethyl]amino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[[2,4-di(propan-2-yl)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(2,4-diisopropylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)C(C)C

InChI

InChI=1S/C22H25NO5/c1-12(2)14-5-6-15(16(9-14)13(3)4)21(24)23-18-11-20-19(27-7-8-28-20)10-17(18)22(25)26/h5-6,9-13H,7-8H2,1-4H3,(H,23,24)(H,25,26)