tert-butyl N-[5-[3-(1-adamantylcarbonylamino)propanoylamino]-2-methoxy-phenyl]carbamate

Systemtic Name: tert-butyl N-[5-[3-(1-adamantylcarbonylamino)propanoylamino]-2-methoxy-phenyl]carbamate Openeye Name: tert-butyl N-[5-[3-(adamantane-1-carbonylamino)propanoylamino]-2-methoxy-phenyl]carbamate CAS Name: N-[5-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-2-methoxyphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[3-(adamantane-1-carbonylamino)propanoylamino]-2-methoxyphenyl]carbamate Traditional Name: N-[5-[3-(adamantane-1-carbonylamino)propanoylamino]-2-methoxy-phenyl]carbamic acid tert-butyl ester Formula: C26H37N3O5 MolecularWeight: 471.58908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C26H37N3O5/c1-25(2,3)34-24(32)29-20-12-19(5-6-21(20)33-4)28-22(30)7-8-27-23(31)26-13-16-9-17(14-26)11-18(10-16)15-26/h5-6,12,16-18H,7-11,13-15H2,1-4H3,(H,27,31)(H,28,30)(H,29,32)