[2-(octadecylcarbamoyl)phenyl]methyl N-(3-imidazol-1-ylpropyl)carbamate hydrochloride

Systemtic Name: [2-(octadecylcarbamoyl)phenyl]methyl N-(3-imidazol-1-ylpropyl)carbamate hydrochloride Openeye Name: [2-(octadecylcarbamoyl)phenyl]methyl N-(3-imidazol-1-ylpropyl)carbamate hydrochloride CAS Name: N-[3-(1-imidazolyl)propyl]carbamic acid [2-[(octadecylamino)-oxomethyl]phenyl]methyl ester hydrochloride IUPAC Name: [2-(octadecylcarbamoyl)phenyl]methyl N-(3-imidazol-1-ylpropyl)carbamate hydrochloride Traditional Name: N-(3-imidazol-1-ylpropyl)carbamic acid [2-(stearylcarbamoyl)benzyl] ester hydrochloride Formula: C33H55ClN4O3 MolecularWeight: 591.2678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)NCCCN2C=CN=C2.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)NCCCN2C=CN=C2.Cl

InChI

InChI=1S/C33H54N4O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-35-32(38)31-22-18-17-21-30(31)28-40-33(39)36-24-20-26-37-27-25-34-29-37;/h17-18,21-22,25,27,29H,2-16,19-20,23-24,26,28H2,1H3,(H,35,38)(H,36,39);1H