(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl adamantane-2-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl adamantane-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C23H26O4/c1-12-3-19-18(10-21(24)27-20(19)4-13(12)2)11-26-23(25)22-16-6-14-5-15(8-16)9-17(22)7-14/h3-4,10,14-17,22H,5-9,11H2,1-2H3