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

Systemtic Name: 1-[6-chloranyl-5-(2,2-diphenylethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-(2,2-diphenylethylcarbamoyl)-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[(2,2-diphenylethylamino)-oxomethyl]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-(2,2-diphenylethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-(2,2-diphenylethylcarbamoyl)-2-quinolyl]isonipecotic acid Formula: C30H28ClN3O3 MolecularWeight: 514.01462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28ClN3O3/c31-25-12-13-26-23(11-14-27(33-26)34-17-15-22(16-18-34)30(36)37)28(25)29(35)32-19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,24H,15-19H2,(H,32,35)(H,36,37)