ethyl 2-methyl-4-[(S)-(4-methylphenyl)-piperidin-1-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[(S)-(4-methylphenyl)-piperidin-1-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(S)-1-piperidyl(p-tolyl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-(1-piperidinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-piperidin-1-ylmethyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(S)-piperidino(p-tolyl)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=C(C=C4)C)N5CCCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=C(C=C4)C)N5CCCCC5)C

InChI

InChI=1S/C29H31NO4/c1-4-33-29(32)23-19(3)34-28-22-11-7-6-10-21(22)27(31)25(24(23)28)26(30-16-8-5-9-17-30)20-14-12-18(2)13-15-20/h6-7,10-15,26,31H,4-5,8-9,16-17H2,1-3H3/t26-/m0/s1