1-(3-ethynylphenyl)-3-(2-methylpropyl)urea

Systemtic Name: 1-(3-ethynylphenyl)-3-(2-methylpropyl)urea Openeye Name: 1-(3-ethynylphenyl)-3-isobutyl-urea CAS Name: 1-(3-ethynylphenyl)-3-(2-methylpropyl)urea IUPAC Name: 1-(3-ethynylphenyl)-3-(2-methylpropyl)urea Traditional Name: 1-(3-ethynylphenyl)-3-isobutyl-urea Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC1=CC=CC(=C1)C#C

Isomeric SMILES

CC(C)CNC(=O)NC1=CC=CC(=C1)C#C

InChI

InChI=1S/C13H16N2O/c1-4-11-6-5-7-12(8-11)15-13(16)14-9-10(2)3/h1,5-8,10H,9H2,2-3H3,(H2,14,15,16)