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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C24H27NO6 MolecularWeight: 425.47428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C24H27NO6/c26-18-1-2-19-17(8-22(28)31-20(19)9-18)13-30-21(27)3-4-25-23(29)24-10-14-5-15(11-24)7-16(6-14)12-24/h1-2,8-9,14-16,26H,3-7,10-13H2,(H,25,29)