propan-2-yl 2-(1-adamantyl)-6-bromanyl-quinoline-4-carboxylate

Systemtic Name: propan-2-yl 2-(1-adamantyl)-6-bromanyl-quinoline-4-carboxylate Openeye Name: isopropyl 2-(1-adamantyl)-6-bromo-quinoline-4-carboxylate CAS Name: 2-(1-adamantyl)-6-bromo-4-quinolinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1-adamantyl)-6-bromoquinoline-4-carboxylate Traditional Name: 2-(1-adamantyl)-6-bromo-cinchoninic acid isopropyl ester Formula: C23H26BrNO2 MolecularWeight: 428.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)OC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26BrNO2/c1-13(2)27-22(26)19-9-21(25-20-4-3-17(24)8-18(19)20)23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,8-9,13-16H,5-7,10-12H2,1-2H3