4-[6-(4-methoxyphenyl)hex-3-ynylamino]benzoic acid

Systemtic Name: 4-[6-(4-methoxyphenyl)hex-3-ynylamino]benzoic acid Openeye Name: 4-[6-(4-methoxyphenyl)hex-3-ynylamino]benzoic acid CAS Name: 4-[6-(4-methoxyphenyl)hex-3-ynylamino]benzoic acid IUPAC Name: 4-[6-(4-methoxyphenyl)hex-3-ynylamino]benzoic acid Traditional Name: 4-[6-(4-methoxyphenyl)hex-3-ynylamino]benzoic acid Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC#CCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC#CCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H21NO3/c1-24-19-13-7-16(8-14-19)6-4-2-3-5-15-21-18-11-9-17(10-12-18)20(22)23/h7-14,21H,4-6,15H2,1H3,(H,22,23)