(4-methoxyphenyl) 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (4-methoxyphenyl) 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (4-methoxyphenyl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (4-methoxyphenyl) ester Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO4/c1-26-18-4-6-19(7-5-18)27-20(24)3-2-8-23-21(25)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-7,15-17H,2-3,8-14H2,1H3,(H,23,25)