[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C24H25NO5 MolecularWeight: 407.459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C24H25NO5/c1-28-16-19-18-12-6-7-13-20(18)29-22(19)24(27)30-21(17-10-4-2-5-11-17)23(26)25-14-8-3-9-15-25/h2,4-7,10-13,21H,3,8-9,14-16H2,1H3/t21-/m1/s1