3-[(4-tert-butylphenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(4-nitrobenzyl)amino]propionic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)18-8-4-16(5-9-18)14-22(13-12-20(24)25)15-17-6-10-19(11-7-17)23(26)27/h4-11H,12-15H2,1-3H3,(H,24,25)