(2-chloranyl-5-methyl-phenyl) 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (2-chloro-5-methyl-phenyl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (2-chloro-5-methyl-phenyl) ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO3/c1-14-4-5-18(23)19(7-14)27-20(25)3-2-6-24-21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h4-5,7,15-17H,2-3,6,8-13H2,1H3,(H,24,26)