ethyl (4aS,7aR)-3-(4-bromophenyl)-2-methyl-1-oxidanylidene-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate

Systemtic Name: ethyl (4aS,7aR)-3-(4-bromophenyl)-2-methyl-1-oxidanylidene-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate Openeye Name: ethyl (4aS,7aR)-3-(4-bromophenyl)-2-methyl-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate CAS Name: (4aS,7aR)-3-(4-bromophenyl)-2-methyl-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4aS,7aR)-3-(4-bromophenyl)-2-methyl-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate Traditional Name: (4aS,7aR)-3-(4-bromophenyl)-1-keto-2-methyl-5,7a-dihydro-4aH-2-pyrindine-4-carboxylic acid ethyl ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C2C1CC=C2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)[C@H]2[C@@H]1CC=C2)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrNO3/c1-3-23-18(22)15-13-5-4-6-14(13)17(21)20(2)16(15)11-7-9-12(19)10-8-11/h4,6-10,13-14H,3,5H2,1-2H3/t13-,14+/m0/s1