diethyl (4S,4aR)-2-(cyclohexylamino)-4a-methyl-5,6-bis(oxidanylidene)-4H-cyclopenta[b]pyran-3,4-dicarboxylate

Systemtic Name: diethyl (4S,4aR)-2-(cyclohexylamino)-4a-methyl-5,6-bis(oxidanylidene)-4H-cyclopenta[b]pyran-3,4-dicarboxylate Openeye Name: diethyl (4S,4aR)-2-(cyclohexylamino)-4a-methyl-5,6-dioxo-4H-cyclopenta[b]pyran-3,4-dicarboxylate CAS Name: (4S,4aR)-2-(cyclohexylamino)-4a-methyl-5,6-dioxo-4H-cyclopenta[b]pyran-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S,4aR)-2-(cyclohexylamino)-4a-methyl-5,6-dioxo-4H-cyclopenta[b]pyran-3,4-dicarboxylate Traditional Name: (4S,4aR)-2-(cyclohexylamino)-5,6-diketo-4a-methyl-4H-cyclopenta[b]pyran-3,4-dicarboxylic acid diethyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C(OC2=CC(=O)C(=O)C12C)NC3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1C(=C(OC2=CC(=O)C(=O)[C@]12C)NC3CCCCC3)C(=O)OCC

InChI

InChI=1S/C21H27NO7/c1-4-27-19(25)15-16(20(26)28-5-2)21(3)14(11-13(23)17(21)24)29-18(15)22-12-9-7-6-8-10-12/h11-12,16,22H,4-10H2,1-3H3/t16-,21-/m0/s1