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

Systemtic Name: 1-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoyl]piperidine-4-carboxylate Openeye Name: 1-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]-4-piperidinecarboxylate IUPAC Name: 1-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoyl]isonipecotate Formula: C22H22NO6- MolecularWeight: 396.41318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-12-11-28-18-10-19-17(9-16(12)18)13(2)15(22(27)29-19)3-4-20(24)23-7-5-14(6-8-23)21(25)26/h9-11,14H,3-8H2,1-2H3,(H,25,26)/p-1