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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[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 (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27NO6/c1-13(25-23(29)24-9-14-4-15(10-24)6-16(5-14)11-24)22(28)30-12-17-7-21(27)31-20-8-18(26)2-3-19(17)20/h2-3,7-8,13-16,26H,4-6,9-12H2,1H3,(H,25,29)/t13-,14?,15?,16?,24?/m0/s1