methyl 5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-carboxylate CAS Name: 5-[[3-(1-imidazolyl)propylamino]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-carboxylate Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-carboxylic acid methyl ester Formula: C13H17N3O3 MolecularWeight: 263.29238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CNCCCN2C=CN=C2

Isomeric SMILES

COC(=O)C1=CC=C(O1)CNCCCN2C=CN=C2

InChI

InChI=1S/C13H17N3O3/c1-18-13(17)12-4-3-11(19-12)9-14-5-2-7-16-8-6-15-10-16/h3-4,6,8,10,14H,2,5,7,9H2,1H3