(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25NO6/c1-15-19(20(25)27-3)13-18(29-15)14-28-21(26)22(17-7-5-4-6-8-17)9-11-23(12-10-22)16(2)24/h4-8,13H,9-12,14H2,1-3H3