3,6-bis(azanyl)-2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]benzamide

Systemtic Name: 3,6-bis(azanyl)-2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]benzamide Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-3,6-diamino-benzamide CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-3,6-diaminobenzamide IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-3,6-diaminobenzamide Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-3,6-diamino-benzamide Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC2=C(C=CC(=C2C(=O)N)N)N)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC2=C(C=CC(=C2C(=O)N)N)N)O

InChI

InChI=1S/C21H27N3O5/c1-3-4-14-18(8-5-13(11(2)25)20(14)27)29-10-12(26)9-15-16(22)6-7-17(23)19(15)21(24)28/h5-8,12,26-27H,3-4,9-10,22-23H2,1-2H3,(H2,24,28)