ethyl 1-[(5-methylfuran-2-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-methylfuran-2-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(5-methyl-2-furyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(5-methyl-2-furyl)methyl]isonipecotic acid ethyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(O2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(O2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3/c1-3-24-20(23)21(15-18-7-5-4-6-8-18)11-13-22(14-12-21)16-19-10-9-17(2)25-19/h4-10H,3,11-16H2,1-2H3