2-[2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]acetyl]amino]acetic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C17H18N2O7/c1-9-11-3-2-10(20)6-13(11)26-17(25)12(9)4-5-14(21)18-7-15(22)19-8-16(23)24/h2-3,6,20H,4-5,7-8H2,1H3,(H,18,21)(H,19,22)(H,23,24)