dodecyl 7-bromanyl-6-butyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: dodecyl 7-bromanyl-6-butyl-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: dodecyl 5-benzoyl-7-bromo-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-benzoyl-7-bromo-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid dodecyl ester IUPAC Name: dodecyl 5-benzoyl-7-bromo-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-benzoyl-7-bromo-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid lauryl ester Formula: C31H44BrNO3 MolecularWeight: 558.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1CCN2C1=C(C(=C2C(=O)C3=CC=CC=C3)CCCC)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1CCN2C1=C(C(=C2C(=O)C3=CC=CC=C3)CCCC)Br

InChI

InChI=1S/C31H44BrNO3/c1-3-5-7-8-9-10-11-12-13-17-23-36-31(35)26-21-22-33-28(26)27(32)25(20-6-4-2)29(33)30(34)24-18-15-14-16-19-24/h14-16,18-19,26H,3-13,17,20-23H2,1-2H3