N-(1-adamantylmethyl)-3-(3-bromanyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-(1-adamantylmethyl)-3-(3-bromanyl-4-methoxy-phenyl)propanamide Openeye Name: N-(1-adamantylmethyl)-3-(3-bromo-4-methoxy-phenyl)propanamide CAS Name: N-(1-adamantylmethyl)-3-(3-bromo-4-methoxyphenyl)propanamide IUPAC Name: N-(1-adamantylmethyl)-3-(3-bromo-4-methoxyphenyl)propanamide Traditional Name: N-(1-adamantylmethyl)-3-(3-bromo-4-methoxy-phenyl)propionamide Formula: C21H28BrNO2 MolecularWeight: 406.35652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCC23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCC23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C21H28BrNO2/c1-25-19-4-2-14(9-18(19)22)3-5-20(24)23-13-21-10-15-6-16(11-21)8-17(7-15)12-21/h2,4,9,15-17H,3,5-8,10-13H2,1H3,(H,23,24)