bis(phenylmethyl) 1-[3-(4-octylphenoxy)-2-oxidanyl-propyl]indole-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 1-[3-(4-octylphenoxy)-2-oxidanyl-propyl]indole-3,5-dicarboxylate Openeye Name: dibenzyl 1-[2-hydroxy-3-(4-octylphenoxy)propyl]indole-3,5-dicarboxylate CAS Name: 1-[2-hydroxy-3-(4-octylphenoxy)propyl]indole-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 1-[2-hydroxy-3-(4-octylphenoxy)propyl]indole-3,5-dicarboxylate Traditional Name: 1-[2-hydroxy-3-(4-octylphenoxy)propyl]indole-3,5-dicarboxylic acid dibenzyl ester Formula: C41H45NO6 MolecularWeight: 647.7991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(CN2C=C(C3=C2C=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(CN2C=C(C3=C2C=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C41H45NO6/c1-2-3-4-5-6-9-14-31-19-22-36(23-20-31)46-30-35(43)26-42-27-38(41(45)48-29-33-17-12-8-13-18-33)37-25-34(21-24-39(37)42)40(44)47-28-32-15-10-7-11-16-32/h7-8,10-13,15-25,27,35,43H,2-6,9,14,26,28-30H2,1H3