O5-tert-butyl O3-methyl 1-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]indole-3,5-dicarboxylate

Systemtic Name: O5-tert-butyl O3-methyl 1-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]indole-3,5-dicarboxylate Openeye Name: O5-tert-butyl O3-methyl 1-[3-(4-decoxyphenoxy)-2-hydroxy-propyl]indole-3,5-dicarboxylate CAS Name: 1-[3-(4-decoxyphenoxy)-2-hydroxypropyl]indole-3,5-dicarboxylic acid O5-tert-butyl ester O3-methyl ester IUPAC Name: 5-O-tert-butyl 3-O-methyl 1-[3-(4-decoxyphenoxy)-2-hydroxypropyl]indole-3,5-dicarboxylate Traditional Name: 1-[3-(4-decoxyphenoxy)-2-hydroxy-propyl]indole-3,5-dicarboxylic acid O5-tert-butyl ester O3-methyl ester Formula: C34H47NO7 MolecularWeight: 581.73948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OCC(CN2C=C(C3=C2C=CC(=C3)C(=O)OC(C)(C)C)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OCC(CN2C=C(C3=C2C=CC(=C3)C(=O)OC(C)(C)C)C(=O)OC)O

InChI

InChI=1S/C34H47NO7/c1-6-7-8-9-10-11-12-13-20-40-27-15-17-28(18-16-27)41-24-26(36)22-35-23-30(33(38)39-5)29-21-25(14-19-31(29)35)32(37)42-34(2,3)4/h14-19,21,23,26,36H,6-13,20,22,24H2,1-5H3