[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO5/c1-27-18-4-2-3-17(8-18)19(24)13-28-20(25)12-23-21(26)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-13H2,1H3,(H,23,26)