[4-(4-isocyanophenyl)phenyl]methyl N-[3-methyl-1-(octadecylamino)-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: [4-(4-isocyanophenyl)phenyl]methyl N-[3-methyl-1-(octadecylamino)-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: [4-(4-isocyanophenyl)phenyl]methyl N-[2-methyl-1-(octadecylcarbamoyl)propyl]carbamate CAS Name: N-[3-methyl-1-(octadecylamino)-1-oxobutan-2-yl]carbamic acid [4-(4-isocyanophenyl)phenyl]methyl ester IUPAC Name: [4-(4-isocyanophenyl)phenyl]methyl N-[3-methyl-1-(octadecylamino)-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-methyl-1-(stearylcarbamoyl)propyl]carbamic acid [4-(4-isocyanophenyl)benzyl] ester Formula: C38H57N3O3 MolecularWeight: 603.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C(C)C)NC(=O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C(C)C)NC(=O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)[N+]#[C-]

InChI

InChI=1S/C38H57N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-40-37(42)36(31(2)3)41-38(43)44-30-32-21-23-33(24-22-32)34-25-27-35(39-4)28-26-34/h21-28,31,36H,5-20,29-30H2,1-3H3,(H,40,42)(H,41,43)