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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H26ClNO5 MolecularWeight: 443.91994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H26ClNO5/c1-13-2-20-18(7-19(13)25)17(6-21(27)31-20)12-30-22(28)11-26-23(29)24-8-14-3-15(9-24)5-16(4-14)10-24/h2,6-7,14-16H,3-5,8-12H2,1H3,(H,26,29)