dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H32BrNO4 MolecularWeight: 514.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Br)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)Br)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32BrNO4/c1-32-25(30)22-15-29(7-6-27-12-17-8-18(13-27)10-19(9-17)14-27)16-23(26(31)33-2)24(22)20-4-3-5-21(28)11-20/h3-5,11,15-19,24H,6-10,12-14H2,1-2H3