4-[4-(3-methylphenyl)but-3-ynylamino]benzoic acid

Systemtic Name: 4-[4-(3-methylphenyl)but-3-ynylamino]benzoic acid Openeye Name: 4-[4-(m-tolyl)but-3-ynylamino]benzoic acid CAS Name: 4-[4-(3-methylphenyl)but-3-ynylamino]benzoic acid IUPAC Name: 4-[4-(3-methylphenyl)but-3-ynylamino]benzoic acid Traditional Name: 4-[4-(m-tolyl)but-3-ynylamino]benzoic acid Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17NO2/c1-14-5-4-7-15(13-14)6-2-3-12-19-17-10-8-16(9-11-17)18(20)21/h4-5,7-11,13,19H,3,12H2,1H3,(H,20,21)