methyl 3-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate Openeye Name: methyl 3-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate CAS Name: 3-[[1-(4-bromophenyl)propylamino]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-bromophenyl)propylamino]methyl]furan-2-carboxylate Traditional Name: 3-[[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=C(OC=C2)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NCC2=C(OC=C2)C(=O)OC

InChI

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