methyl 2-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H28BrNO3 MolecularWeight: 386.32382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

InChI

InChI=1S/C18H28BrNO3/c1-11(2)15(16(22)23-3)20-14(21)9-17-5-12-4-13(6-17)8-18(19,7-12)10-17/h11-13,15H,4-10H2,1-3H3,(H,20,21)