1-benzofuran-2-ylmethyl (3R,4R)-4-[3-(3-methoxyquinolin-5-yl)-3-oxidanyl-propyl]piperidine-3-carboxylate

Systemtic Name: 1-benzofuran-2-ylmethyl (3R,4R)-4-[3-(3-methoxyquinolin-5-yl)-3-oxidanyl-propyl]piperidine-3-carboxylate Openeye Name: benzofuran-2-ylmethyl (3R,4R)-4-[3-hydroxy-3-(3-methoxy-5-quinolyl)propyl]piperidine-3-carboxylate CAS Name: (3R,4R)-4-[3-hydroxy-3-(3-methoxy-5-quinolinyl)propyl]-3-piperidinecarboxylic acid 2-benzofuranylmethyl ester IUPAC Name: 1-benzofuran-2-ylmethyl (3R,4R)-4-[3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]piperidine-3-carboxylate Traditional Name: (3R,4R)-4-[3-hydroxy-3-(3-methoxy-5-quinolyl)propyl]nipecotic acid benzofuran-2-ylmethyl ester Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC=C2N=C1)C(CCC3CCNCC3C(=O)OCC4=CC5=CC=CC=C5O4)O

Isomeric SMILES

COC1=CC2=C(C=CC=C2N=C1)C(CC[C@@H]3CCNC[C@@H]3C(=O)OCC4=CC5=CC=CC=C5O4)O

InChI

InChI=1S/C28H30N2O5/c1-33-20-14-23-22(6-4-7-25(23)30-15-20)26(31)10-9-18-11-12-29-16-24(18)28(32)34-17-21-13-19-5-2-3-8-27(19)35-21/h2-8,13-15,18,24,26,29,31H,9-12,16-17H2,1H3/t18-,24+,26?/m1/s1