[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl] N-(4-nitrophenyl)carbamate

Systemtic Name: [3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl] N-(4-nitrophenyl)carbamate Openeye Name: [3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl] N-(4-nitrophenyl)carbamate CAS Name: N-(4-nitrophenyl)carbamic acid [3-[[4-(2,4-dipentylphenoxy)butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl] ester IUPAC Name: [3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-hydroxynaphthalen-1-yl] N-(4-nitrophenyl)carbamate Traditional Name: N-(4-nitrophenyl)carbamic acid [3-[4-(2,4-diamylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl] ester Formula: C38H45N3O7 MolecularWeight: 655.7798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])O)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])O)CCCCC

InChI

InChI=1S/C38H45N3O7/c1-3-5-7-13-27-17-22-34(28(25-27)14-8-6-4-2)47-24-12-11-23-39-37(43)33-26-35(31-15-9-10-16-32(31)36(33)42)48-38(44)40-29-18-20-30(21-19-29)41(45)46/h9-10,15-22,25-26,42H,3-8,11-14,23-24H2,1-2H3,(H,39,43)(H,40,44)