(4-ethanoyl-2-methoxy-phenyl) 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (4-acetyl-2-methoxy-phenyl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (4-acetyl-2-methoxy-phenyl) ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5/c1-15(26)19-5-6-20(21(11-19)29-2)30-22(27)4-3-7-25-23(28)24-12-16-8-17(13-24)10-18(9-16)14-24/h5-6,11,16-18H,3-4,7-10,12-14H2,1-2H3,(H,25,28)