6-[2-(3-azanyl-3-methyl-but-1-ynyl)phenyl]hex-5-ynoic acid

Systemtic Name: 6-[2-(3-azanyl-3-methyl-but-1-ynyl)phenyl]hex-5-ynoic acid Openeye Name: 6-[2-(3-amino-3-methyl-but-1-ynyl)phenyl]hex-5-ynoic acid CAS Name: 6-[2-(3-amino-3-methylbut-1-ynyl)phenyl]-5-hexynoic acid IUPAC Name: 6-[2-(3-amino-3-methylbut-1-ynyl)phenyl]hex-5-ynoic acid Traditional Name: 6-[2-(3-amino-3-methyl-but-1-ynyl)phenyl]hex-5-ynoic acid Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=CC=C1C#CCCCC(=O)O)N

Isomeric SMILES

CC(C)(C#CC1=CC=CC=C1C#CCCCC(=O)O)N

InChI

InChI=1S/C17H19NO2/c1-17(2,18)13-12-15-10-7-6-9-14(15)8-4-3-5-11-16(19)20/h6-7,9-10H,3,5,11,18H2,1-2H3,(H,19,20)