ethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-keto-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(C1C(=O)OCC)C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2

Isomeric SMILES

CCC1=NC2=C([C@H](C1C(=O)OCC)C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2

InChI

InChI=1S/C21H22BrNO5/c1-3-13-20(21(25)26-4-2)18(19-14(23-13)6-5-7-15(19)24)11-8-16-17(9-12(11)22)28-10-27-16/h8-9,18,20H,3-7,10H2,1-2H3/t18-,20?/m1/s1