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

Systemtic Name: methyl 3-(heptanoylamino)-5-(oxan-2-yloxymethyl)benzoate Openeye Name: methyl 3-(heptanoylamino)-5-(tetrahydropyran-2-yloxymethyl)benzoate CAS Name: 3-(2-oxanyloxymethyl)-5-(1-oxoheptylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(heptanoylamino)-5-(oxan-2-yloxymethyl)benzoate Traditional Name: 3-(enanthylamino)-5-(tetrahydropyran-2-yloxymethyl)benzoic acid methyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-3-4-5-6-9-19(23)22-18-13-16(12-17(14-18)21(24)25-2)15-27-20-10-7-8-11-26-20/h12-14,20H,3-11,15H2,1-2H3,(H,22,23)