tert-butyl 1-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]indole-5-carboxylate

Systemtic Name: tert-butyl 1-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]indole-5-carboxylate Openeye Name: tert-butyl 1-[3-(4-decoxyphenoxy)-2-hydroxy-propyl]indole-5-carboxylate CAS Name: 1-[3-(4-decoxyphenoxy)-2-hydroxypropyl]-5-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(4-decoxyphenoxy)-2-hydroxypropyl]indole-5-carboxylate Traditional Name: 1-[3-(4-decoxyphenoxy)-2-hydroxy-propyl]indole-5-carboxylic acid tert-butyl ester Formula: C32H45NO5 MolecularWeight: 523.7034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OCC(CN2C=CC3=C2C=CC(=C3)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OCC(CN2C=CC3=C2C=CC(=C3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C32H45NO5/c1-5-6-7-8-9-10-11-12-21-36-28-14-16-29(17-15-28)37-24-27(34)23-33-20-19-25-22-26(13-18-30(25)33)31(35)38-32(2,3)4/h13-20,22,27,34H,5-12,21,23-24H2,1-4H3