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

Systemtic Name: 3-[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-nitrobenzyl)-(3-phenoxybenzyl)amino]propionic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CCC(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CCC(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O5/c26-23(27)13-14-24(16-18-9-11-20(12-10-18)25(28)29)17-19-5-4-8-22(15-19)30-21-6-2-1-3-7-21/h1-12,15H,13-14,16-17H2,(H,26,27)