methyl 2-[2-(1-adamantyl)ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(1-adamantyl)ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(1-adamantyl)acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-adamantyl)acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-26-18-7-16(21(25)28-3)17(8-19(18)27-2)23-20(24)12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,23,24)