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

Systemtic Name: 3-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid Openeye Name: 3-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid CAS Name: 3-[[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid Traditional Name: 3-[2-(1-hydroxy-7-keto-4a-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-12(19(25)22-14-5-3-4-13(10-14)20(26)27)16-7-9-21(2)8-6-15(23)11-17(21)18(16)24/h3-6,8,10-12,16,18,24H,7,9H2,1-2H3,(H,22,25)(H,26,27)