quinolin-2-ylmethyl (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: quinolin-2-ylmethyl (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: 2-quinolylmethyl (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid 2-quinolylmethyl ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21ClN2O3/c24-19-10-7-17(8-11-19)22(27)26-13-3-5-18(14-26)23(28)29-15-20-12-9-16-4-1-2-6-21(16)25-20/h1-2,4,6-12,18H,3,5,13-15H2/t18-/m0/s1