methyl 3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C24H32BrNO5 MolecularWeight: 494.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC

InChI

InChI=1S/C24H32BrNO5/c1-29-19-5-4-17(7-20(19)30-2)18(8-22(28)31-3)26-21(27)13-23-9-15-6-16(10-23)12-24(25,11-15)14-23/h4-5,7,15-16,18H,6,8-14H2,1-3H3,(H,26,27)