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

Systemtic Name: 2-methyl-5-[5-[(4-methylphenyl)carbonylamino]-6-oxidanylidene-heptyl]-1,3-dioxane-2-carboxylic acid Openeye Name: 2-methyl-5-[5-[(4-methylbenzoyl)amino]-6-oxo-heptyl]-1,3-dioxane-2-carboxylic acid CAS Name: 2-methyl-5-[5-[[(4-methylphenyl)-oxomethyl]amino]-6-oxoheptyl]-1,3-dioxane-2-carboxylic acid IUPAC Name: 2-methyl-5-[5-[(4-methylbenzoyl)amino]-6-oxoheptyl]-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[6-keto-5-(p-toluoylamino)heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CCCCC2COC(OC2)(C)C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CCCCC2COC(OC2)(C)C(=O)O)C(=O)C

InChI

InChI=1S/C21H29NO6/c1-14-8-10-17(11-9-14)19(24)22-18(15(2)23)7-5-4-6-16-12-27-21(3,20(25)26)28-13-16/h8-11,16,18H,4-7,12-13H2,1-3H3,(H,22,24)(H,25,26)