2-(3-methylpent-1-yn-3-ylcarbamoyl)benzoic acid

Systemtic Name: 2-(3-methylpent-1-yn-3-ylcarbamoyl)benzoic acid Openeye Name: 2-[(1-ethyl-1-methyl-prop-2-ynyl)carbamoyl]benzoic acid CAS Name: 2-[(3-methylpent-1-yn-3-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(3-methylpent-1-yn-3-ylcarbamoyl)benzoic acid Traditional Name: 2-[(1-ethyl-1-methyl-prop-2-ynyl)carbamoyl]benzoic acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)NC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCC(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)