4-[7-(4-methoxyphenyl)hept-4-ynylamino]benzoic acid

Systemtic Name: 4-[7-(4-methoxyphenyl)hept-4-ynylamino]benzoic acid Openeye Name: 4-[7-(4-methoxyphenyl)hept-4-ynylamino]benzoic acid CAS Name: 4-[7-(4-methoxyphenyl)hept-4-ynylamino]benzoic acid IUPAC Name: 4-[7-(4-methoxyphenyl)hept-4-ynylamino]benzoic acid Traditional Name: 4-[7-(4-methoxyphenyl)hept-4-ynylamino]benzoic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC#CCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC#CCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H23NO3/c1-25-20-14-8-17(9-15-20)7-5-3-2-4-6-16-22-19-12-10-18(11-13-19)21(23)24/h8-15,22H,4-7,16H2,1H3,(H,23,24)