3-(4-nitrophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Openeye Name: 3-(4-nitrophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid CAS Name: 3-(4-nitrophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Traditional Name: 3-(4-nitrophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propionic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H29N3O4/c30-26(31)24(19-27-17-15-20-7-3-1-4-8-20)25(22-11-13-23(14-12-22)29(32)33)28-18-16-21-9-5-2-6-10-21/h1-14,24-25,27-28H,15-19H2,(H,30,31)