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methyl 2,8-bis(2-adamantyl)quinoline-4-carboxylate

methyl 2,8-bis(2-adamantyl)quinoline-4-carboxylate

Systemtic Name:methyl 2,8-bis(2-adamantyl)quinoline-4-carboxylate
Openeye Name:methyl 2,8-bis(2-adamantyl)quinoline-4-carboxylate
CAS Name:2,8-bis(2-adamantyl)-4-quinolinecarboxylic acid methyl ester
IUPAC Name:methyl 2,8-bis(2-adamantyl)quinoline-4-carboxylate
Traditional Name:2,8-bis(2-adamantyl)cinchoninic acid methyl ester
Formula: C31H37NO2
MolecularWeight: 455.63098
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C=CC=C2C3C4CC5CC(C4)CC3C5)C6C7CC8CC(C7)CC6C8


Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C=CC=C2C3C4CC5CC(C4)CC3C5)C6C7CC8CC(C7)CC6C8


InChI

InChI=1S/C31H37NO2/c1-34-31(33)26-15-27(29-22-11-18-6-19(13-22)14-23(29)12-18)32-30-24(26)3-2-4-25(30)28-20-7-16-5-17(9-20)10-21(28)8-16/h2-4,15-23,28-29H,5-14H2,1H3


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