1-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]isonipecotate Formula: C21H20NO6- MolecularWeight: 382.3866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)N4CCC(CC4)C(=O)[O-])C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)N4CCC(CC4)C(=O)[O-])C

InChI

InChI=1S/C21H21NO6/c1-11-10-27-17-9-18-15(7-14(11)17)12(2)16(21(26)28-18)8-19(23)22-5-3-13(4-6-22)20(24)25/h7,9-10,13H,3-6,8H2,1-2H3,(H,24,25)/p-1