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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C=CC(=O)C=C2C1O)C)C(=O)N(C)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C1CCC2(C=CC(=O)C=C2C1O)C)C(=O)N(C)C3=CC=CC=C3C(=O)O

InChI

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