3-(1-adamantyl)-2-bromanyl-N-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-propanamide

Systemtic Name: 3-(1-adamantyl)-2-bromanyl-N-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-propanamide Openeye Name: 3-(1-adamantyl)-2-bromo-N-(2-methoxy-5-methyl-phenyl)-3-oxo-propanamide CAS Name: 3-(1-adamantyl)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-oxopropanamide IUPAC Name: 3-(1-adamantyl)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-oxopropanamide Traditional Name: 3-(1-adamantyl)-2-bromo-3-keto-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C21H26BrNO3 MolecularWeight: 420.34004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-12-3-4-17(26-2)16(5-12)23-20(25)18(22)19(24)21-9-13-6-14(10-21)8-15(7-13)11-21/h3-5,13-15,18H,6-11H2,1-2H3,(H,23,25)