2-[(4-butylnaphthalen-1-yl)amino]benzoic acid

Systemtic Name: 2-[(4-butylnaphthalen-1-yl)amino]benzoic acid Openeye Name: 2-[(4-butyl-1-naphthyl)amino]benzoic acid CAS Name: 2-[(4-butyl-1-naphthalenyl)amino]benzoic acid IUPAC Name: 2-[(4-butylnaphthalen-1-yl)amino]benzoic acid Traditional Name: 2-[(4-butyl-1-naphthyl)amino]benzoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C2=CC=CC=C12)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C2=CC=CC=C12)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H21NO2/c1-2-3-8-15-13-14-20(17-10-5-4-9-16(15)17)22-19-12-7-6-11-18(19)21(23)24/h4-7,9-14,22H,2-3,8H2,1H3,(H,23,24)