4-[(8-tert-butyl-3,5,5-trimethyl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid

Systemtic Name: 4-[(8-tert-butyl-3,5,5-trimethyl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[(8-tert-butyl-3,5,5-trimethyl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid CAS Name: 4-[(8-tert-butyl-3,5,5-trimethyl-6H-naphthalen-2-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(8-tert-butyl-3,5,5-trimethyl-6H-naphthalen-2-yl)-ethylamino]benzoic acid Traditional Name: 4-[(8-tert-butyl-3,5,5-trimethyl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid Formula: C26H33NO2 MolecularWeight: 391.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C=C3C(=C2)C(=CCC3(C)C)C(C)(C)C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C=C3C(=C2)C(=CCC3(C)C)C(C)(C)C)C

InChI

InChI=1S/C26H33NO2/c1-8-27(19-11-9-18(10-12-19)24(28)29)23-16-20-21(25(3,4)5)13-14-26(6,7)22(20)15-17(23)2/h9-13,15-16H,8,14H2,1-7H3,(H,28,29)