5-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-(1-hydroxy-7-keto-4a-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]isophthalic acid Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C=CC(=O)C=C2C1O)C)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1CCC2(C=CC(=O)C=C2C1O)C)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H23NO7/c1-11(16-4-6-22(2)5-3-15(24)10-17(22)18(16)25)19(26)23-14-8-12(20(27)28)7-13(9-14)21(29)30/h3,5,7-11,16,18,25H,4,6H2,1-2H3,(H,23,26)(H,27,28)(H,29,30)