(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31NO5/c1-3-19-10-20-15(2)6-24(29)32-22(20)11-21(19)31-23(28)4-5-27-25(30)26-12-16-7-17(13-26)9-18(8-16)14-26/h6,10-11,16-18H,3-5,7-9,12-14H2,1-2H3,(H,27,30)