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

Systemtic Name: cyclohexyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (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 cyclohexyl ester Formula: C24H26BrNO5 MolecularWeight: 488.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC5=C(C=C4Br)OCO5)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCCC3)C4=CC5=C(C=C4Br)OCO5)C(=O)CCC2

InChI

InChI=1S/C24H26BrNO5/c1-13-21(24(28)31-14-6-3-2-4-7-14)22(23-17(26-13)8-5-9-18(23)27)15-10-19-20(11-16(15)25)30-12-29-19/h10-11,14,21-22H,2-9,12H2,1H3/t21?,22-/m0/s1