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

Systemtic Name: 3-(4-nitrophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid Openeye Name: 3-(4-nitrophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid CAS Name: 3-(4-nitrophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid Traditional Name: 3-(amylamino)-2-[(amylamino)methyl]-3-(4-nitrophenyl)propionic acid Formula: C20H33N3O4 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(C(C1=CC=C(C=C1)[N+](=O)[O-])NCCCCC)C(=O)O

Isomeric SMILES

CCCCCNCC(C(C1=CC=C(C=C1)[N+](=O)[O-])NCCCCC)C(=O)O

InChI

InChI=1S/C20H33N3O4/c1-3-5-7-13-21-15-18(20(24)25)19(22-14-8-6-4-2)16-9-11-17(12-10-16)23(26)27/h9-12,18-19,21-22H,3-8,13-15H2,1-2H3,(H,24,25)