[1-[4-[bis(phenylmethyl)amino]butanoyl-octadecyl-amino]cyclohex-3-en-1-yl]methyl carbamate

Systemtic Name: [1-[4-[bis(phenylmethyl)amino]butanoyl-octadecyl-amino]cyclohex-3-en-1-yl]methyl carbamate Openeye Name: [1-[4-(dibenzylamino)butanoyl-octadecyl-amino]cyclohex-3-en-1-yl]methyl carbamate CAS Name: carbamic acid [1-[[4-[bis(phenylmethyl)amino]-1-oxobutyl]-octadecylamino]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [1-[4-(dibenzylamino)butanoyl-octadecylamino]cyclohex-3-en-1-yl]methyl carbamate Traditional Name: carbamic acid [1-[4-(dibenzylamino)butanoyl-stearyl-amino]cyclohex-3-en-1-yl]methyl ester Formula: C44H69N3O3 MolecularWeight: 688.03696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(=O)CCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)C3(CCC=CC3)COC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(=O)CCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)C3(CCC=CC3)COC(=O)N

InChI

InChI=1S/C44H69N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-36-47(44(39-50-43(45)49)33-24-19-25-34-44)42(48)32-27-35-46(37-40-28-20-17-21-29-40)38-41-30-22-18-23-31-41/h17-24,28-31H,2-16,25-27,32-39H2,1H3,(H2,45,49)