pentyl 3-[2-hexyldecyl-(5-oxidanylnaphthalen-1-yl)carbamoyl]-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: pentyl 3-[2-hexyldecyl-(5-oxidanylnaphthalen-1-yl)carbamoyl]-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: pentyl 3-[2-hexyldecyl-(5-hydroxy-1-naphthyl)carbamoyl]-5-methyl-triazole-4-carboxylate CAS Name: 3-[[2-hexyldecyl-(5-hydroxy-1-naphthalenyl)amino]-oxomethyl]-5-methyl-4-triazolecarboxylic acid pentyl ester IUPAC Name: pentyl 3-[2-hexyldecyl-(5-hydroxynaphthalen-1-yl)carbamoyl]-5-methyltriazole-4-carboxylate Traditional Name: 3-[2-hexyldecyl-(5-hydroxy-1-naphthyl)carbamoyl]-5-methyl-triazole-4-carboxylic acid amyl ester Formula: C36H54N4O4 MolecularWeight: 606.83836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)CN(C1=CC=CC2=C1C=CC=C2O)C(=O)N3C(=C(N=N3)C)C(=O)OCCCCC

Isomeric SMILES

CCCCCCCCC(CCCCCC)CN(C1=CC=CC2=C1C=CC=C2O)C(=O)N3C(=C(N=N3)C)C(=O)OCCCCC

InChI

InChI=1S/C36H54N4O4/c1-5-8-11-13-14-16-21-29(20-15-12-9-6-2)27-39(32-24-18-23-31-30(32)22-19-25-33(31)41)36(43)40-34(28(4)37-38-40)35(42)44-26-17-10-7-3/h18-19,22-25,29,41H,5-17,20-21,26-27H2,1-4H3