methyl 3-(nonanoylamino)-5-(oxan-2-yloxymethyl)benzoate

Systemtic Name: methyl 3-(nonanoylamino)-5-(oxan-2-yloxymethyl)benzoate Openeye Name: methyl 3-(nonanoylamino)-5-(tetrahydropyran-2-yloxymethyl)benzoate CAS Name: 3-(2-oxanyloxymethyl)-5-(1-oxononylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(nonanoylamino)-5-(oxan-2-yloxymethyl)benzoate Traditional Name: 3-(pelargonylamino)-5-(tetrahydropyran-2-yloxymethyl)benzoic acid methyl ester Formula: C23H35NO5 MolecularWeight: 405.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC(=CC(=C1)COC2CCCCO2)C(=O)OC

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC(=CC(=C1)COC2CCCCO2)C(=O)OC

InChI

InChI=1S/C23H35NO5/c1-3-4-5-6-7-8-11-21(25)24-20-15-18(14-19(16-20)23(26)27-2)17-29-22-12-9-10-13-28-22/h14-16,22H,3-13,17H2,1-2H3,(H,24,25)