4-[3-[bis(2-oxidanyl-3-phenoxy-propyl)amino]butyl]-N-butyl-benzamide

Systemtic Name: 4-[3-[bis(2-oxidanyl-3-phenoxy-propyl)amino]butyl]-N-butyl-benzamide Openeye Name: 4-[3-[bis(2-hydroxy-3-phenoxy-propyl)amino]butyl]-N-butyl-benzamide CAS Name: 4-[3-[bis(2-hydroxy-3-phenoxypropyl)amino]butyl]-N-butylbenzamide IUPAC Name: 4-[3-[bis(2-hydroxy-3-phenoxypropyl)amino]butyl]-N-butylbenzamide Traditional Name: 4-[3-[bis(2-hydroxy-3-phenoxy-propyl)amino]butyl]-N-butyl-benzamide Formula: C33H44N2O5 MolecularWeight: 548.71286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)CCC(C)N(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)CCC(C)N(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C33H44N2O5/c1-3-4-21-34-33(38)28-19-17-27(18-20-28)16-15-26(2)35(22-29(36)24-39-31-11-7-5-8-12-31)23-30(37)25-40-32-13-9-6-10-14-32/h5-14,17-20,26,29-30,36-37H,3-4,15-16,21-25H2,1-2H3,(H,34,38)