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

Systemtic Name: 3-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-(1-hydroxy-7-keto-4a-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]-4-methyl-benzoic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)C2CCC3(C=CC(=O)C=C3C2O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)C2CCC3(C=CC(=O)C=C3C2O)C

InChI

InChI=1S/C22H25NO5/c1-12-4-5-14(21(27)28)10-18(12)23-20(26)13(2)16-7-9-22(3)8-6-15(24)11-17(22)19(16)25/h4-6,8,10-11,13,16,19,25H,7,9H2,1-3H3,(H,23,26)(H,27,28)