(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C24H29BrN2O4 MolecularWeight: 489.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H29BrN2O4/c1-2-30-20-10-18(14-26)9-19(25)22(20)31-21(28)4-3-5-27-23(29)24-11-15-6-16(12-24)8-17(7-15)13-24/h9-10,15-17H,2-8,11-13H2,1H3,(H,27,29)