(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H25ClO4 MolecularWeight: 400.8952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H25ClO4/c1-2-14-3-4-18-17(7-20(25)28-19(18)6-14)12-27-21(26)22-8-15-5-16(9-22)11-23(24,10-15)13-22/h3-4,6-7,15-16H,2,5,8-13H2,1H3