[4-(1-bromoethyl)phenyl] 1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate

Systemtic Name: [4-(1-bromoethyl)phenyl] 1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate Openeye Name: [4-(1-bromoethyl)phenyl] 1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylate CAS Name: 1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid [4-(1-bromoethyl)phenyl] ester IUPAC Name: [4-(1-bromoethyl)phenyl] 1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid [4-(1-bromoethyl)phenyl] ester Formula: C22H20BrNO3 MolecularWeight: 426.3031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=C(C=C(C2=O)C(=O)OC3=CC=C(C=C3)C(C)Br)C4CC4

Isomeric SMILES

CC1=CC=CN2C1=C(C=C(C2=O)C(=O)OC3=CC=C(C=C3)C(C)Br)C4CC4

InChI

InChI=1S/C22H20BrNO3/c1-13-4-3-11-24-20(13)18(16-5-6-16)12-19(21(24)25)22(26)27-17-9-7-15(8-10-17)14(2)23/h3-4,7-12,14,16H,5-6H2,1-2H3