4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(4-nitrophenyl)methyl]butan-1-amine

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(4-nitrophenyl)methyl]butan-1-amine Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(4-nitrophenyl)methyl]butan-1-amine CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(4-nitrophenyl)methyl]-1-butanamine IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(4-nitrophenyl)methyl]butan-1-amine Traditional Name: 4-(2,4-ditert-amylphenoxy)butyl-(4-nitrobenzyl)amine Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNCC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNCC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C27H40N2O3/c1-7-26(3,4)22-13-16-25(24(19-22)27(5,6)8-2)32-18-10-9-17-28-20-21-11-14-23(15-12-21)29(30)31/h11-16,19,28H,7-10,17-18,20H2,1-6H3