hexadecyl N-cyano-N-(3-methoxyphenyl)carbamate

Systemtic Name: hexadecyl N-cyano-N-(3-methoxyphenyl)carbamate Openeye Name: hexadecyl N-cyano-N-(3-methoxyphenyl)carbamate CAS Name: N-cyano-N-(3-methoxyphenyl)carbamic acid hexadecyl ester IUPAC Name: hexadecyl N-cyano-N-(3-methoxyphenyl)carbamate Traditional Name: N-cyano-N-(3-methoxyphenyl)carbamic acid cetyl ester Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)N(C#N)C1=CC(=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)N(C#N)C1=CC(=CC=C1)OC

InChI

InChI=1S/C25H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-25(28)27(22-26)23-18-17-19-24(21-23)29-2/h17-19,21H,3-16,20H2,1-2H3