2-[[(3R)-3-methylpent-1-yn-3-yl]carbamoyl]benzoate

Systemtic Name: 2-[[(3R)-3-methylpent-1-yn-3-yl]carbamoyl]benzoate Openeye Name: 2-[[(1R)-1-ethyl-1-methyl-prop-2-ynyl]carbamoyl]benzoate CAS Name: 2-[[[(3R)-3-methylpent-1-yn-3-yl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[(3R)-3-methylpent-1-yn-3-yl]carbamoyl]benzoate Traditional Name: 2-[[(1R)-1-ethyl-1-methyl-prop-2-ynyl]carbamoyl]benzoate Formula: C14H14NO3- MolecularWeight: 244.26586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)NC(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC[C@](C)(C#C)NC(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C14H15NO3/c1-4-14(3,5-2)15-12(16)10-8-6-7-9-11(10)13(17)18/h1,6-9H,5H2,2-3H3,(H,15,16)(H,17,18)/p-1/t14-/m0/s1