(5-chloranyl-2-methoxy-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (5-chloro-2-methoxy-benzyl) ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO4/c1-26-18-3-2-17(22)7-16(18)12-27-19(24)11-23-20(25)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,23,25)