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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=CC=N4)N5CCC(CC5)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=CC=N4)N5CCC(CC5)C)C

InChI

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