N-[3-[4-[3-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]propylamino]butylamino]propyl]-3-phenyl-propanamide

Systemtic Name: N-[3-[4-[3-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]propylamino]butylamino]propyl]-3-phenyl-propanamide Openeye Name: N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]-3-phenyl-propanamide CAS Name: N-[3-[4-[3-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]propylamino]butylamino]propyl]-3-phenylpropanamide IUPAC Name: N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]-3-phenylpropanamide Traditional Name: N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]-3-phenyl-propionamide Formula: C28H42N4O4 MolecularWeight: 498.65748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)