2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylamino]-3-methyl-butanoic acid Openeye Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-chromen-8-yl]methylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromen-8-yl]methylamino]-3-methylbutanoic acid Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-chromen-8-yl]methylamino]-3-methyl-butyric acid Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)O

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C23H23NO7/c1-12(2)20(23(27)28)24-10-15-17(25)5-4-14-21(26)16(11-31-22(14)15)13-3-6-18-19(9-13)30-8-7-29-18/h3-6,9,11-12,20,24-25H,7-8,10H2,1-2H3,(H,27,28)