methyl 5-[(2-ethylhexylamino)methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(2-ethylhexylamino)methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(2-ethylhexylamino)methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(2-ethylhexylamino)methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-ethylhexylamino)methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(2-ethylhexylamino)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H27NO3 MolecularWeight: 281.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCC1=CC(=C(O1)C)C(=O)OC

Isomeric SMILES

CCCCC(CC)CNCC1=CC(=C(O1)C)C(=O)OC

InChI

InChI=1S/C16H27NO3/c1-5-7-8-13(6-2)10-17-11-14-9-15(12(3)20-14)16(18)19-4/h9,13,17H,5-8,10-11H2,1-4H3