[2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] cyclohexanecarboxylate

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] cyclohexanecarboxylate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-oxo-3-[oxo-(2-oxolanylmethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H25NO6/c24-20(23-13-17-7-4-10-27-17)18-11-15-8-9-16(12-19(15)29-22(18)26)28-21(25)14-5-2-1-3-6-14/h8-9,11-12,14,17H,1-7,10,13H2,(H,23,24)