(3S)-3-acetamido-N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(4-methylphenyl)propanamide

Systemtic Name: (3S)-3-acetamido-N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(4-methylphenyl)propanamide Openeye Name: (3S)-3-acetamido-N-[[5-(4-bromophenyl)-2-furyl]methyl]-3-(p-tolyl)propanamide CAS Name: (3S)-3-acetamido-N-[[5-(4-bromophenyl)-2-furanyl]methyl]-3-(4-methylphenyl)propanamide IUPAC Name: (3S)-3-acetamido-N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(4-methylphenyl)propanamide Traditional Name: (3S)-3-acetamido-N-[[5-(4-bromophenyl)-2-furyl]methyl]-3-(p-tolyl)propionamide Formula: C23H23BrN2O3 MolecularWeight: 455.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br)NC(=O)C

InChI

InChI=1S/C23H23BrN2O3/c1-15-3-5-17(6-4-15)21(26-16(2)27)13-23(28)25-14-20-11-12-22(29-20)18-7-9-19(24)10-8-18/h3-12,21H,13-14H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1