2-[(3-ethynylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(3-ethynylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(3-ethynylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[(3-ethynylanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(3-ethynylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(3-ethynylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C17H15NO3/c1-2-10-4-3-5-13(8-10)18-16(19)14-11-6-7-12(9-11)15(14)17(20)21/h1,3-8,11-12,14-15H,9H2,(H,18,19)(H,20,21)