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

Systemtic Name: ethyl 2-methyl-4-[(4-methylpiperidin-1-yl)-phenyl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(4-methyl-1-piperidyl)-phenyl-methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperidinyl)-phenylmethyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)-phenylmethyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperidino)-phenyl-methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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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=CC=C4)N5CCC(CC5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4/c1-4-33-29(32)23-19(3)34-28-22-13-9-8-12-21(22)27(31)25(24(23)28)26(20-10-6-5-7-11-20)30-16-14-18(2)15-17-30/h5-13,18,26,31H,4,14-17H2,1-3H3