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

Systemtic Name: ethyl 6-bromanyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: ethyl 6-bromo-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-bromo-5-[(4-ethynylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-bromo-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid ethyl ester Formula: C19H16BrNO3 MolecularWeight: 386.23924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)Br

Isomeric SMILES

CCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)Br

InChI

InChI=1S/C19H16BrNO3/c1-3-12-5-7-13(8-6-12)18(22)17-15(20)11-16-14(9-10-21(16)17)19(23)24-4-2/h1,5-8,11,14H,4,9-10H2,2H3