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

Systemtic Name: bis(prop-2-ynyl) 2-(bromomethyl)-6-methyl-4-(9-oxidanylidenexanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(prop-2-ynyl) 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 bis(prop-2-ynyl) ester IUPAC Name: bis(prop-2-ynyl) 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 dipropargyl ester Formula: C28H20BrNO6 MolecularWeight: 546.3655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20BrNO6/c1-4-13-34-27(32)22-16(3)30-20(15-29)24(28(33)35-14-5-2)23(22)18-10-8-11-19-25(31)17-9-6-7-12-21(17)36-26(18)19/h1-2,6-12,23,30H,13-15H2,3H3