(4-chloranyl-2-methyl-phenyl) 1-(furan-3-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-(furan-3-ylcarbonyl)piperidine-3-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[3-furanyl(oxo)methyl]-3-piperidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-furoyl)nipecotic acid (4-chloro-2-methyl-phenyl) ester Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCCN(C2)C(=O)C3=COC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCCN(C2)C(=O)C3=COC=C3

InChI

InChI=1S/C18H18ClNO4/c1-12-9-15(19)4-5-16(12)24-18(22)13-3-2-7-20(10-13)17(21)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3