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

Systemtic Name: 3-methylbutyl 6-bromanyl-5-(4-ethenylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: isopentyl 6-bromo-5-(4-vinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-bromo-5-[(4-ethenylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-bromo-5-(4-ethenylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-bromo-5-(4-vinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid isoamyl ester Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO3/c1-4-15-5-7-16(8-6-15)21(25)20-18(23)13-19-17(9-11-24(19)20)22(26)27-12-10-14(2)3/h4-8,13-14,17H,1,9-12H2,2-3H3