CAS: 863713-72-8

Name: 3-(5-dimethylcarbamoyl-pent-1-ynyl)-benzoic acid

IUPAC: 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid

SMILES: CN(C)C(=O)CCCC#Cc1cccc(C(=O)O)c1

Canonical SMILES: CN(C)C(=O)CCCC#CC1=CC(=CC=C1)C(=O)O

Molecular formula: C15H17NO3

Molecular weight: 259.30

InChIKey: PTVFUGRHEBXJCK-UHFFFAOYSA-N

InChI: InChI=1S/C15H17NO3/c1-16(2)14(17)10-5-3-4-7-12-8-6-9-13(11-12)15(18)19/h6,8-9,11H,3,5,10H2,1-2H3,(H,18,19)

Synonyms

863713-72-8SCHEMBL2763424PTVFUGRHEBXJCK-UHFFFAOYSA-NDA-410933-(5-Dimethylcarbamoyl-pent-1-ynyl)-benzoic acid