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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O5/c1-2-16-3-4-21-20(11-24(30)33-22(21)10-16)15-32-23(29)5-6-27-25(31)28-26-12-17-7-18(13-26)9-19(8-17)14-26/h3-4,10-11,17-19H,2,5-9,12-15H2,1H3,(H2,27,28,31)