2-[3-[4-(3-dodecoxyphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-N'-ethyl-N-(4-nitrophenyl)butanediamide

Systemtic Name: 2-[3-[4-(3-dodecoxyphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-N'-ethyl-N-(4-nitrophenyl)butanediamide Openeye Name: 2-[[3-[4-(3-dodecoxyphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl]oxy]-N'-ethyl-N-(4-nitrophenyl)butanediamide CAS Name: 2-[[3-[[4-(3-dodecoxyphenoxy)butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]-N'-ethyl-N-(4-nitrophenyl)butanediamide IUPAC Name: 2-[3-[4-(3-dodecoxyphenoxy)butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxy-N'-ethyl-N-(4-nitrophenyl)butanediamide Traditional Name: N'-ethyl-2-[4-hydroxy-3-[4-(3-lauryloxyphenoxy)butylcarbamoyl]-1-naphthoxy]-N-(4-nitrophenyl)succinamide Formula: C45H58N4O9 MolecularWeight: 798.96342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(CC(=O)NCC)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(CC(=O)NCC)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C45H58N4O9/c1-3-5-6-7-8-9-10-11-12-16-28-56-35-19-18-20-36(30-35)57-29-17-15-27-47-44(52)39-31-40(37-21-13-14-22-38(37)43(39)51)58-41(32-42(50)46-4-2)45(53)48-33-23-25-34(26-24-33)49(54)55/h13-14,18-26,30-31,41,51H,3-12,15-17,27-29,32H2,1-2H3,(H,46,50)(H,47,52)(H,48,53)