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1-[isoquinolin-6-yl(quinolin-3-yl)methyl]piperidine-3-carboxylic acid
1-[isoquinolin-6-yl(quinolin-3-yl)methyl]piperidine-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O
Isomeric SMILES
C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O
InChI
InChI=1S/C25H23N3O2/c29-25(30)21-5-3-11-28(16-21)24(19-7-8-20-14-26-10-9-17(20)12-19)22-13-18-4-1-2-6-23(18)27-15-22/h1-2,4,6-10,12-15,21,24H,3,5,11,16H2,(H,29,30)
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