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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C21H22BrNO5/c1-3-7-26-21(25)18-11(2)23-14-5-4-6-15(24)20(14)19(18)12-8-16-17(9-13(12)22)28-10-27-16/h8-9,18-19H,3-7,10H2,1-2H3/t18?,19-/m0/s1