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

Systemtic Name: 2-methoxyethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C27H26BrNO6 MolecularWeight: 540.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OCCOC

InChI

InChI=1S/C27H26BrNO6/c1-15-24(27(31)33-9-8-32-2)25(18-12-22-23(13-19(18)28)35-14-34-22)26-20(29-15)10-17(11-21(26)30)16-6-4-3-5-7-16/h3-7,12-13,17,25,29H,8-11,14H2,1-2H3