4-[(5,5,8,8-tetramethyl-7-oxidanylidene-6H-naphthalen-2-yl)methylamino]benzoic acid

Systemtic Name: 4-[(5,5,8,8-tetramethyl-7-oxidanylidene-6H-naphthalen-2-yl)methylamino]benzoic acid Openeye Name: 4-[(1,1,4,4-tetramethyl-3-oxo-tetralin-6-yl)methylamino]benzoic acid CAS Name: 4-[(5,5,8,8-tetramethyl-7-oxo-6H-naphthalen-2-yl)methylamino]benzoic acid IUPAC Name: 4-[(5,5,8,8-tetramethyl-7-oxo-6H-naphthalen-2-yl)methylamino]benzoic acid Traditional Name: 4-[(3-keto-1,1,4,4-tetramethyl-tetralin-6-yl)methylamino]benzoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C2=C1C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CC(=O)C(C2=C1C=CC(=C2)CNC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C22H25NO3/c1-21(2)12-19(24)22(3,4)18-11-14(5-10-17(18)21)13-23-16-8-6-15(7-9-16)20(25)26/h5-11,23H,12-13H2,1-4H3,(H,25,26)