4-[8-(3-methylphenyl)oct-7-ynylamino]benzoic acid

Systemtic Name: 4-[8-(3-methylphenyl)oct-7-ynylamino]benzoic acid Openeye Name: 4-[8-(m-tolyl)oct-7-ynylamino]benzoic acid CAS Name: 4-[8-(3-methylphenyl)oct-7-ynylamino]benzoic acid IUPAC Name: 4-[8-(3-methylphenyl)oct-7-ynylamino]benzoic acid Traditional Name: 4-[8-(m-tolyl)oct-7-ynylamino]benzoic acid Formula: C22H25NO2 MolecularWeight: 335.4394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H25NO2/c1-18-9-8-11-19(17-18)10-6-4-2-3-5-7-16-23-21-14-12-20(13-15-21)22(24)25/h8-9,11-15,17,23H,2-5,7,16H2,1H3,(H,24,25)