(2R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]proline Formula: C26H30ClN3O3 MolecularWeight: 467.9877

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C26H30ClN3O3/c27-19-4-5-20-18(3-6-22(29-20)30-7-1-2-21(30)25(32)33)23(19)24(31)28-14-26-11-15-8-16(12-26)10-17(9-15)13-26/h3-6,15-17,21H,1-2,7-14H2,(H,28,31)(H,32,33)/t15?,16?,17?,21-,26?/m1/s1