4-[1-(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid Openeye Name: 4-[1-(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid CAS Name: 4-[1-(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid IUPAC Name: 4-[1-(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid Traditional Name: 4-[1-(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(CC=C2C(C)(C)C)(C)C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(CC=C2C(C)(C)C)(C)C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H31NO2/c1-16(26-19-10-7-17(8-11-19)23(27)28)18-9-12-22-20(15-18)21(24(2,3)4)13-14-25(22,5)6/h7-13,15-16,26H,14H2,1-6H3,(H,27,28)