methyl 5-[5-[(4-methoxyphenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 5-[5-[(4-methoxyphenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-[5-[(4-methoxybenzoyl)amino]-6-oxo-heptyl]-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-[5-[[(4-methoxyphenyl)-oxomethyl]amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[5-[(4-methoxybenzoyl)amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-[6-keto-5-(p-anisoylamino)heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO7/c1-15(24)19(23-20(25)17-9-11-18(27-3)12-10-17)8-6-5-7-16-13-29-22(2,30-14-16)21(26)28-4/h9-12,16,19H,5-8,13-14H2,1-4H3,(H,23,25)