ethyl 2-methyl-1-(4-methylphenyl)-5-(2-oxidanyl-3-piperidin-1-yl-propoxy)indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-(2-oxidanyl-3-piperidin-1-yl-propoxy)indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(1-piperidyl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-(1-piperidinyl)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-(2-hydroxy-3-piperidino-propoxy)-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCC3)O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCC3)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H34N2O4/c1-4-32-27(31)26-20(3)29(21-10-8-19(2)9-11-21)25-13-12-23(16-24(25)26)33-18-22(30)17-28-14-6-5-7-15-28/h8-13,16,22,30H,4-7,14-15,17-18H2,1-3H3