methyl 1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-(3,5-dimethylbenzofuran-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-2-benzofuranyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethylbenzofuran-2-carbonyl)isonipecotic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H21NO4/c1-11-4-5-15-14(10-11)12(2)16(23-15)17(20)19-8-6-13(7-9-19)18(21)22-3/h4-5,10,13H,6-9H2,1-3H3