methyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-5-morpholino-benzoate CAS Name: 2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[3-(adamantane-1-carbonylamino)propanoylamino]-5-morpholino-benzoic acid methyl ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O5/c1-33-24(31)21-13-20(29-6-8-34-9-7-29)2-3-22(21)28-23(30)4-5-27-25(32)26-14-17-10-18(15-26)12-19(11-17)16-26/h2-3,13,17-19H,4-12,14-16H2,1H3,(H,27,32)(H,28,30)