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

Systemtic Name: tert-butyl 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-4-carboxylate Openeye Name: tert-butyl 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-4-carboxylate CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-4-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-4-carboxylate Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]indole-4-carboxylic acid tert-butyl ester Formula: C30H39NO4 MolecularWeight: 477.63496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC3=C(C=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC3=C(C=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H39NO4/c1-5-6-7-8-9-10-12-23-15-17-25(18-16-23)34-22-24(32)21-31-20-19-26-27(13-11-14-28(26)31)29(33)35-30(2,3)4/h11,13-20H,5-10,12,21-22H2,1-4H3