methyl 5-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate CAS Name: 5-[[1-(4-bromophenyl)propylamino]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate Traditional Name: 5-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylic acid methyl ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C16H18BrNO3/c1-3-14(11-4-6-12(17)7-5-11)18-10-13-8-9-15(21-13)16(19)20-2/h4-9,14,18H,3,10H2,1-2H3