bis(2-methylpropyl) 4-[5-(4-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2-methylpropyl) 4-[5-(4-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisobutyl 4-[5-(4-bromophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[5-(4-bromophenyl)-2-furanyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 4-[5-(4-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[5-(4-bromophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diisobutyl ester Formula: C27H32BrNO5 MolecularWeight: 530.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)OCC(C)C

InChI

InChI=1S/C27H32BrNO5/c1-15(2)13-32-26(30)23-17(5)29-18(6)24(27(31)33-14-16(3)4)25(23)22-12-11-21(34-22)19-7-9-20(28)10-8-19/h7-12,15-16,25,29H,13-14H2,1-6H3