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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2O6/c1-31-19-2-3-20-18(9-23(29)33-21(20)10-19)14-32-22(28)4-5-26-24(30)27-25-11-15-6-16(12-25)8-17(7-15)13-25/h2-3,9-10,15-17H,4-8,11-14H2,1H3,(H2,26,27,30)