[3-[(5-methyl-2-tetradecoxy-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] benzotriazole-1-carboxylate

Systemtic Name: [3-[(5-methyl-2-tetradecoxy-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] benzotriazole-1-carboxylate Openeye Name: [4-hydroxy-3-[(5-methyl-2-tetradecoxy-phenyl)carbamoyl]-1-naphthyl] benzotriazole-1-carboxylate CAS Name: 1-benzotriazolecarboxylic acid [4-hydroxy-3-[(5-methyl-2-tetradecoxyanilino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: [4-hydroxy-3-[(5-methyl-2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl] benzotriazole-1-carboxylate Traditional Name: benzotriazole-1-carboxylic acid [4-hydroxy-3-[(5-methyl-2-myristyloxy-phenyl)carbamoyl]-1-naphthyl] ester Formula: C39H46N4O5 MolecularWeight: 650.80634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)N4C5=CC=CC=C5N=N4)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)N4C5=CC=CC=C5N=N4)O

InChI

InChI=1S/C39H46N4O5/c1-3-4-5-6-7-8-9-10-11-12-13-18-25-47-35-24-23-28(2)26-33(35)40-38(45)31-27-36(29-19-14-15-20-30(29)37(31)44)48-39(46)43-34-22-17-16-21-32(34)41-42-43/h14-17,19-24,26-27,44H,3-13,18,25H2,1-2H3,(H,40,45)