(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H22ClNO6/c1-13-18(21(26)27-2)11-17(29-13)12-28-20(25)15-7-9-23(10-8-15)19(24)14-3-5-16(22)6-4-14/h3-6,11,15H,7-10,12H2,1-2H3