4-[[3-(3-bromanyl-4-methoxy-phenyl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[3-(3-bromanyl-4-methoxy-phenyl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[3-(3-bromo-4-methoxy-phenyl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]-cyclopropylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[3-(3-bromo-4-methoxyphenyl)propanoyl-cyclopropylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[3-(3-bromo-4-methoxy-phenyl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H25BrN2O3/c1-24-22(27)17-7-3-16(4-8-17)14-25(18-9-10-18)21(26)12-6-15-5-11-20(28-2)19(23)13-15/h3-5,7-8,11,13,18H,6,9-10,12,14H2,1-2H3,(H,24,27)