tert-butyl 1-[2-acetyloxy-3-(4-octylphenoxy)propyl]indole-2-carboxylate

Systemtic Name: tert-butyl 1-[2-acetyloxy-3-(4-octylphenoxy)propyl]indole-2-carboxylate Openeye Name: tert-butyl 1-[2-acetoxy-3-(4-octylphenoxy)propyl]indole-2-carboxylate CAS Name: 1-[2-acetyloxy-3-(4-octylphenoxy)propyl]-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-acetyloxy-3-(4-octylphenoxy)propyl]indole-2-carboxylate Traditional Name: 1-[2-acetoxy-3-(4-octylphenoxy)propyl]indole-2-carboxylic acid tert-butyl ester Formula: C32H43NO5 MolecularWeight: 521.68752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3C=C2C(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3C=C2C(=O)OC(C)(C)C)OC(=O)C

InChI

InChI=1S/C32H43NO5/c1-6-7-8-9-10-11-14-25-17-19-27(20-18-25)36-23-28(37-24(2)34)22-33-29-16-13-12-15-26(29)21-30(33)31(35)38-32(3,4)5/h12-13,15-21,28H,6-11,14,22-23H2,1-5H3