2-[2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[3-(3,5,9-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-3-(3,5,9-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[3-(7-keto-3,5,9-trimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]acetic acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCC(=O)NCC(=O)O)C)C

Isomeric SMILES

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCC(=O)NCC(=O)O)C)C

InChI

InChI=1S/C21H22N2O7/c1-10-9-29-19-12(3)20-15(6-14(10)19)11(2)13(21(28)30-20)4-5-16(24)22-7-17(25)23-8-18(26)27/h6,9H,4-5,7-8H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)