3-[(4-methoxy-3-nitro-phenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methyl-(4-pyridylmethyl)amino]propanoic acid CAS Name: 3-[(4-methoxy-3-nitrophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)-(4-pyridylmethyl)amino]propionic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c1-25-16-3-2-14(10-15(16)20(23)24)12-19(9-6-17(21)22)11-13-4-7-18-8-5-13/h2-5,7-8,10H,6,9,11-12H2,1H3,(H,21,22)