(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H29NO5/c1-14-3-20-19(8-22(27)31-21(20)4-15(14)2)13-30-23(28)12-26-24(29)25-9-16-5-17(10-25)7-18(6-16)11-25/h3-4,8,16-18H,5-7,9-13H2,1-2H3,(H,26,29)