6-bromanyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-bromanyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-bromo-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-bromo-5-[(4-ethynylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-bromo-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-bromo-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C17H12BrNO3 MolecularWeight: 358.18608

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br

Isomeric SMILES

C#CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br

InChI

InChI=1S/C17H12BrNO3/c1-2-10-3-5-11(6-4-10)16(20)15-13(18)9-14-12(17(21)22)7-8-19(14)15/h1,3-6,9,12H,7-8H2,(H,21,22)