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

Systemtic Name: 5-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-(1-hydroxy-7-keto-4a-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-11(19(26)22-12-3-4-17(24)15(9-12)20(27)28)14-6-8-21(2)7-5-13(23)10-16(21)18(14)25/h3-5,7,9-11,14,18,24-25H,6,8H2,1-2H3,(H,22,26)(H,27,28)