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

Systemtic Name: methyl 3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H28BrNO3/c1-27-20(26)8-18(17-5-3-2-4-6-17)24-19(25)13-21-9-15-7-16(10-21)12-22(23,11-15)14-21/h2-6,15-16,18H,7-14H2,1H3,(H,24,25)