[(2S)-2-methylbutyl] 4-[[4-(4-octoxyphenyl)phenyl]iminomethyl]benzoate

Systemtic Name: [(2S)-2-methylbutyl] 4-[[4-(4-octoxyphenyl)phenyl]iminomethyl]benzoate Openeye Name: [(2S)-2-methylbutyl] 4-[[4-(4-octoxyphenyl)phenyl]iminomethyl]benzoate CAS Name: 4-[[4-(4-octoxyphenyl)phenyl]iminomethyl]benzoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 4-[[4-(4-octoxyphenyl)phenyl]iminomethyl]benzoate Traditional Name: 4-[[4-(4-octoxyphenyl)phenyl]iminomethyl]benzoic acid [(2S)-2-methylbutyl] ester Formula: C33H41NO3 MolecularWeight: 499.68354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)C(=O)OC[C@@H](C)CC

InChI

InChI=1S/C33H41NO3/c1-4-6-7-8-9-10-23-36-32-21-17-29(18-22-32)28-15-19-31(20-16-28)34-24-27-11-13-30(14-12-27)33(35)37-25-26(3)5-2/h11-22,24,26H,4-10,23,25H2,1-3H3/t26-/m0/s1