(2,4-dimethylphenyl) 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (2,4-dimethylphenyl) 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (2,4-dimethylphenyl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (2,4-dimethylphenyl) ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H31NO3/c1-15-5-6-20(16(2)8-15)27-21(25)4-3-7-24-22(26)23-12-17-9-18(13-23)11-19(10-17)14-23/h5-6,8,17-19H,3-4,7,9-14H2,1-2H3,(H,24,26)