3-(dipropylcarbamoyl)-5-ethynyl-benzoic acid

Systemtic Name: 3-(dipropylcarbamoyl)-5-ethynyl-benzoic acid Openeye Name: 3-(dipropylcarbamoyl)-5-ethynyl-benzoic acid CAS Name: 3-[(dipropylamino)-oxomethyl]-5-ethynylbenzoic acid IUPAC Name: 3-(dipropylcarbamoyl)-5-ethynylbenzoic acid Traditional Name: 3-(dipropylcarbamoyl)-5-ethynyl-benzoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C#C)C(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C#C)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-4-7-17(8-5-2)15(18)13-9-12(6-3)10-14(11-13)16(19)20/h3,9-11H,4-5,7-8H2,1-2H3,(H,19,20)