methyl 3-(dipropylcarbamoyl)-5-ethynyl-benzoate

Systemtic Name: methyl 3-(dipropylcarbamoyl)-5-ethynyl-benzoate Openeye Name: methyl 3-(dipropylcarbamoyl)-5-ethynyl-benzoate CAS Name: 3-[(dipropylamino)-oxomethyl]-5-ethynylbenzoic acid methyl ester IUPAC Name: methyl 3-(dipropylcarbamoyl)-5-ethynylbenzoate Traditional Name: 3-(dipropylcarbamoyl)-5-ethynyl-benzoic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-5-8-18(9-6-2)16(19)14-10-13(7-3)11-15(12-14)17(20)21-4/h3,10-12H,5-6,8-9H2,1-2,4H3