4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]benzoic acid

Systemtic Name: 4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]benzoic acid Openeye Name: 4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]benzoic acid CAS Name: 4-[[8-(4-chlorophenyl)-7-methyloct-5-ynyl]amino]benzoic acid IUPAC Name: 4-[[8-(4-chlorophenyl)-7-methyloct-5-ynyl]amino]benzoic acid Traditional Name: 4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]benzoic acid Formula: C22H24ClNO2 MolecularWeight: 369.88446

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)C#CCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)C#CCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H24ClNO2/c1-17(16-18-7-11-20(23)12-8-18)6-4-2-3-5-15-24-21-13-9-19(10-14-21)22(25)26/h7-14,17,24H,2-3,5,15-16H2,1H3,(H,25,26)