ethyl 2-methyl-4-[(4-methylpiperidin-1-yl)-pyridin-4-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[(4-methylpiperidin-1-yl)-pyridin-4-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(4-methyl-1-piperidyl)-(4-pyridyl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperidinyl)-pyridin-4-ylmethyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperidino)-(4-pyridyl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=NC=C4)N5CCC(CC5)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=NC=C4)N5CCC(CC5)C)C

InChI

InChI=1S/C28H30N2O4/c1-4-33-28(32)22-18(3)34-27-21-8-6-5-7-20(21)26(31)24(23(22)27)25(19-9-13-29-14-10-19)30-15-11-17(2)12-16-30/h5-10,13-14,17,25,31H,4,11-12,15-16H2,1-3H3