dipropan-2-yl 2-(bromomethyl)-6-methyl-4-(9-oxidanylidenexanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dipropan-2-yl 2-(bromomethyl)-6-methyl-4-(9-oxidanylidenexanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 2-(bromomethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(bromomethyl)-6-methyl-4-(9-oxo-4-xanthenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2-(bromomethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(bromomethyl)-4-(9-ketoxanthen-4-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C28H28BrNO6 MolecularWeight: 554.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CBr)C(=O)OC(C)C)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)CBr)C(=O)OC(C)C)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC(C)C

InChI

InChI=1S/C28H28BrNO6/c1-14(2)34-27(32)22-16(5)30-20(13-29)24(28(33)35-15(3)4)23(22)18-10-8-11-19-25(31)17-9-6-7-12-21(17)36-26(18)19/h6-12,14-15,23,30H,13H2,1-5H3