ethyl 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-[(2,6-dimethyl-1-piperidyl)methyl]-5-hydroxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 4-[(2,6-dimethyl-1-piperidinyl)methyl]-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 4-[(2,6-dimethylpiperidino)methyl]-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3C(CCCC3C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3C(CCCC3C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29NO4/c1-4-29-25(28)23-22-19(15-26-16(2)9-8-10-17(26)3)20(27)13-14-21(22)30-24(23)18-11-6-5-7-12-18/h5-7,11-14,16-17,27H,4,8-10,15H2,1-3H3