(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C25H28ClNO5 MolecularWeight: 457.94652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C25H28ClNO5/c1-2-17-6-21-19(8-20(17)26)18(7-22(28)32-21)13-31-23(29)12-27-24(30)25-9-14-3-15(10-25)5-16(4-14)11-25/h6-8,14-16H,2-5,9-13H2,1H3,(H,27,30)