N-[1-(1-adamantyl)ethyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C21H28BrNO2 MolecularWeight: 406.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO2/c1-12-4-17(22)8-18(19(12)25-3)20(24)23-13(2)21-9-14-5-15(10-21)7-16(6-14)11-21/h4,8,13-16H,5-7,9-11H2,1-3H3,(H,23,24)