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

Systemtic Name: dodecyl 6-bromanyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C29H36BrNO3 MolecularWeight: 526.50504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36BrNO3/c1-3-5-6-7-8-9-10-11-12-13-20-34-29(33)24-18-19-31-26(24)21-25(30)27(31)28(32)23-16-14-22(4-2)15-17-23/h2,14-17,21,24H,3,5-13,18-20H2,1H3