dodecyl 5-(4-bromophenyl)carbonyl-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: dodecyl 5-(4-bromophenyl)carbonyl-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: dodecyl 5-(4-bromobenzoyl)-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-bromophenyl)-oxomethyl]-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid dodecyl ester IUPAC Name: dodecyl 5-(4-bromobenzoyl)-6-butyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-bromobenzoyl)-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=CC(=C2C(=O)C3=CC=C(C=C3)Br)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H44BrNO3/c1-3-5-7-8-9-10-11-12-13-14-22-36-31(35)27-20-21-33-28(27)23-25(15-6-4-2)29(33)30(34)24-16-18-26(32)19-17-24/h16-19,23,27H,3-15,20-22H2,1-2H3