6-bromanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; ethyl octanoate

Systemtic Name: 6-bromanyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; ethyl octanoate Openeye Name: 5-benzoyl-6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; ethyl octanoate CAS Name: 5-benzoyl-6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; octanoic acid ethyl ester IUPAC Name: 5-benzoyl-6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; ethyl octanoate Traditional Name: 5-benzoyl-6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; caprylic acid ethyl ester Formula: C25H32BrNO5 MolecularWeight: 506.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC.C1CN2C(=CC(=C2C(=O)C3=CC=CC=C3)Br)C1C(=O)O

Isomeric SMILES

CCCCCCCC(=O)OCC.C1CN2C(=CC(=C2C(=O)C3=CC=CC=C3)Br)C1C(=O)O

InChI

InChI=1S/C15H12BrNO3.C10H20O2/c16-11-8-12-10(15(19)20)6-7-17(12)13(11)14(18)9-4-2-1-3-5-9;1-3-5-6-7-8-9-10(11)12-4-2/h1-5,8,10H,6-7H2,(H,19,20);3-9H2,1-2H3