4-[[(2S)-2-[[5-(4-bromophenyl)furan-2-yl]methyl-methyl-amino]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[[5-(4-bromophenyl)furan-2-yl]methyl-methyl-amino]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[[5-(4-bromophenyl)-2-furyl]methyl-methyl-amino]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[[5-(4-bromophenyl)-2-furanyl]methyl-methylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[[5-(4-bromophenyl)-2-furyl]methyl-methyl-amino]propanoyl]amino]benzamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N(C)CC2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)N(C)CC2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O3/c1-14(22(28)25-18-9-5-16(6-10-18)21(24)27)26(2)13-19-11-12-20(29-19)15-3-7-17(23)8-4-15/h3-12,14H,13H2,1-2H3,(H2,24,27)(H,25,28)/t14-/m0/s1