5-[5-[(4-tert-butylphenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[5-[(4-tert-butylphenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[5-[(4-tert-butylbenzoyl)amino]-6-oxo-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[5-[(4-tert-butylbenzoyl)amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[5-[(4-tert-butylbenzoyl)amino]-6-keto-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C24H35NO6 MolecularWeight: 433.5378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H35NO6/c1-16(26)20(25-21(27)18-10-12-19(13-11-18)23(2,3)4)9-7-6-8-17-14-30-24(5,22(28)29)31-15-17/h10-13,17,20H,6-9,14-15H2,1-5H3,(H,25,27)(H,28,29)