N-(1-adamantyl)-4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-(1-adamantyl)-4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanamide Openeye Name: N-(1-adamantyl)-4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanamide CAS Name: N-(1-adamantyl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide IUPAC Name: N-(1-adamantyl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide Traditional Name: N-(1-adamantyl)-4-(5-bromo-2-methoxy-phenyl)-4-keto-butyramide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26BrNO3/c1-26-19-4-2-16(22)9-17(19)18(24)3-5-20(25)23-21-10-13-6-14(11-21)8-15(7-13)12-21/h2,4,9,13-15H,3,5-8,10-12H2,1H3,(H,23,25)