N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-fluoranyl-naphthalene-1-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-fluoranyl-naphthalene-1-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-fluoro-naphthalene-1-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-fluoro-1-naphthalenecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-fluoronaphthalene-1-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-4-fluoro-1-naphthamide Formula: C31H40FNO2 MolecularWeight: 477.653203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC=C(C3=CC=CC=C32)F)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC=C(C3=CC=CC=C32)F)C(C)(C)CC

InChI

InChI=1S/C31H40FNO2/c1-7-30(3,4)22-15-18-28(26(21-22)31(5,6)8-2)35-20-12-11-19-33-29(34)25-16-17-27(32)24-14-10-9-13-23(24)25/h9-10,13-18,21H,7-8,11-12,19-20H2,1-6H3,(H,33,34)