4-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate

Systemtic Name: 4-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate Openeye Name: 4-[3-(3,5,9-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate CAS Name: 4-[[1-oxo-3-(3,5,9-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propyl]amino]butanoate IUPAC Name: 4-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoate Traditional Name: 4-[3-(7-keto-3,5,9-trimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]butyrate Formula: C21H22NO6- MolecularWeight: 384.40248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCCC(=O)[O-])C)C

Isomeric SMILES

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCCC(=O)[O-])C)C

InChI

InChI=1S/C21H23NO6/c1-11-10-27-19-13(3)20-16(9-15(11)19)12(2)14(21(26)28-20)6-7-17(23)22-8-4-5-18(24)25/h9-10H,4-8H2,1-3H3,(H,22,23)(H,24,25)/p-1