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

Systemtic Name: methyl 2-methyl-5-[(3-methylbutylamino)methyl]furan-3-carboxylate Openeye Name: methyl 5-[(isopentylamino)methyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[(3-methylbutylamino)methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(3-methylbutylamino)methyl]furan-3-carboxylate Traditional Name: 5-[(isoamylamino)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CNCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CNCCC(C)C)C(=O)OC

InChI

InChI=1S/C13H21NO3/c1-9(2)5-6-14-8-11-7-12(10(3)17-11)13(15)16-4/h7,9,14H,5-6,8H2,1-4H3