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

Systemtic Name: 1-benzofuran-2-ylmethyl (3R,4S)-4-[3-(3-methoxyquinolin-5-yl)propyl]piperidine-3-carboxylate Openeye Name: benzofuran-2-ylmethyl (3R,4S)-4-[3-(3-methoxy-5-quinolyl)propyl]piperidine-3-carboxylate CAS Name: (3R,4S)-4-[3-(3-methoxy-5-quinolinyl)propyl]-3-piperidinecarboxylic acid 2-benzofuranylmethyl ester IUPAC Name: 1-benzofuran-2-ylmethyl (3R,4S)-4-[3-(3-methoxyquinolin-5-yl)propyl]piperidine-3-carboxylate Traditional Name: (3R,4S)-4-[3-(3-methoxy-5-quinolyl)propyl]nipecotic acid benzofuran-2-ylmethyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC=C2N=C1)CCCC3CCNCC3C(=O)OCC4=CC5=CC=CC=C5O4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4/c1-32-22-15-24-19(9-5-10-26(24)30-16-22)7-4-8-20-12-13-29-17-25(20)28(31)33-18-23-14-21-6-2-3-11-27(21)34-23/h2-3,5-6,9-11,14-16,20,25,29H,4,7-8,12-13,17-18H2,1H3/t20-,25-/m0/s1