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

Systemtic Name: 3-(4-cyanophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid Openeye Name: 3-(4-cyanophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid CAS Name: 3-(4-cyanophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid IUPAC Name: 3-(4-cyanophenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid Traditional Name: 3-(amylamino)-2-[(amylamino)methyl]-3-(4-cyanophenyl)propionic acid Formula: C21H33N3O2 MolecularWeight: 359.50562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(C(C1=CC=C(C=C1)C#N)NCCCCC)C(=O)O

Isomeric SMILES

CCCCCNCC(C(C1=CC=C(C=C1)C#N)NCCCCC)C(=O)O

InChI

InChI=1S/C21H33N3O2/c1-3-5-7-13-23-16-19(21(25)26)20(24-14-8-6-4-2)18-11-9-17(15-22)10-12-18/h9-12,19-20,23-24H,3-8,13-14,16H2,1-2H3,(H,25,26)