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

Systemtic Name: propan-2-yl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2

InChI

InChI=1S/C21H22BrNO5/c1-10(2)28-21(25)18-11(3)23-14-5-4-6-15(24)20(14)19(18)12-7-16-17(8-13(12)22)27-9-26-16/h7-8,10,18-19H,4-6,9H2,1-3H3/t18?,19-/m0/s1