dodecyl 7-bromanyl-6-methyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: dodecyl 7-bromanyl-6-methyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: dodecyl 7-bromo-6-methyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 7-bromo-6-methyl-5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid dodecyl ester IUPAC Name: dodecyl 7-bromo-6-methyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 7-bromo-6-methyl-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid lauryl ester Formula: C29H40BrNO3 MolecularWeight: 530.5368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40BrNO3/c1-4-5-6-7-8-9-10-11-12-13-20-34-29(33)24-18-19-31-26(22(3)25(30)27(24)31)28(32)23-16-14-21(2)15-17-23/h14-17,24H,4-13,18-20H2,1-3H3