2-(6-azanylhexanoylamino)-5-(3-azanylpropoxy)-N-[4-(4-oxidanylphenoxy)phenyl]benzamide

Systemtic Name: 2-(6-azanylhexanoylamino)-5-(3-azanylpropoxy)-N-[4-(4-oxidanylphenoxy)phenyl]benzamide Openeye Name: 2-(6-aminohexanoylamino)-5-(3-aminopropoxy)-N-[4-(4-hydroxyphenoxy)phenyl]benzamide CAS Name: 2-[(6-amino-1-oxohexyl)amino]-5-(3-aminopropoxy)-N-[4-(4-hydroxyphenoxy)phenyl]benzamide IUPAC Name: 2-(6-aminohexanoylamino)-5-(3-aminopropoxy)-N-[4-(4-hydroxyphenoxy)phenyl]benzamide Traditional Name: 2-(6-aminohexanoylamino)-5-(3-aminopropoxy)-N-[4-(4-hydroxyphenoxy)phenyl]benzamide Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)OCCCN)NC(=O)CCCCCN)OC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)OCCCN)NC(=O)CCCCCN)OC3=CC=C(C=C3)O

InChI

InChI=1S/C28H34N4O5/c29-16-3-1-2-5-27(34)32-26-15-14-24(36-18-4-17-30)19-25(26)28(35)31-20-6-10-22(11-7-20)37-23-12-8-21(33)9-13-23/h6-15,19,33H,1-5,16-18,29-30H2,(H,31,35)(H,32,34)