2-[bis(carboxymethyl)amino]-6-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]hexanoic acid

Systemtic Name: 2-[bis(carboxymethyl)amino]-6-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]hexanoic acid Openeye Name: 2-[bis(carboxymethyl)amino]-6-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]hexanoic acid CAS Name: 2-[bis(carboxymethyl)amino]-6-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[bis(carboxymethyl)amino]-6-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]hexanoic acid Traditional Name: 2-[bis(carboxymethyl)amino]-6-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]hexanoic acid Formula: C22H26N2O10 MolecularWeight: 478.44924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C22H26N2O10/c1-12-14-6-5-13(25)8-17(14)34-22(33)15(12)9-18(26)23-7-3-2-4-16(21(31)32)24(10-19(27)28)11-20(29)30/h5-6,8,16,25H,2-4,7,9-11H2,1H3,(H,23,26)(H,27,28)(H,29,30)(H,31,32)