(3R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]nipecotic acid Formula: C27H32ClN3O3 MolecularWeight: 482.01428

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H32ClN3O3/c28-21-4-5-22-20(3-6-23(30-22)31-7-1-2-19(14-31)26(33)34)24(21)25(32)29-15-27-11-16-8-17(12-27)10-18(9-16)13-27/h3-6,16-19H,1-2,7-15H2,(H,29,32)(H,33,34)/t16?,17?,18?,19-,27?/m1/s1