1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-phenyl-isonipecotic acid Formula: C33H36ClN3O3 MolecularWeight: 558.11024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3=NC4=C(C=C3)C(=C(C=C4)Cl)C(=O)NCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3=NC4=C(C=C3)C(=C(C=C4)Cl)C(=O)NCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H36ClN3O3/c34-26-7-8-27-25(29(26)30(38)35-20-32-17-21-14-22(18-32)16-23(15-21)19-32)6-9-28(36-27)37-12-10-33(11-13-37,31(39)40)24-4-2-1-3-5-24/h1-9,21-23H,10-20H2,(H,35,38)(H,39,40)