3-[(4-tert-butylphenyl)methyl-ethyl-amino]benzoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-ethyl-amino]benzoic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-ethyl-amino]benzoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-ethylamino]benzoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-ethylamino]benzoic acid Traditional Name: 3-[(4-tert-butylbenzyl)-ethyl-amino]benzoic acid Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(C)(C)C)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(C)(C)C)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H25NO2/c1-5-21(18-8-6-7-16(13-18)19(22)23)14-15-9-11-17(12-10-15)20(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23)