3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(3-methylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(3-methylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-(m-tolylmethyl)amino]propanoic acid CAS Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-[(3-methylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-[(3-methylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-nitro-benzyl)-(3-methylbenzyl)amino]propionic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H24N2O6/c1-14-5-4-6-15(9-14)12-21(8-7-20(23)24)13-16-10-18(27-2)19(28-3)11-17(16)22(25)26/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,24)