[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 3-chloranyladamantane-1-carboxylate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C24H26ClNO6 MolecularWeight: 459.91934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C24H26ClNO6/c1-2-30-22(29)26-17-3-4-18-16(6-20(27)32-19(18)7-17)12-31-21(28)23-8-14-5-15(9-23)11-24(25,10-14)13-23/h3-4,6-7,14-15H,2,5,8-13H2,1H3,(H,26,29)