tert-butyl N-[1-(octadecylamino)-1-oxidanylidene-3-(5-phenylmethoxypyridin-2-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(octadecylamino)-1-oxidanylidene-3-(5-phenylmethoxypyridin-2-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(5-benzyloxy-2-pyridyl)methyl]-2-(octadecylamino)-2-oxo-ethyl]carbamate CAS Name: N-[1-(octadecylamino)-1-oxo-3-(5-phenylmethoxy-2-pyridinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(octadecylamino)-1-oxo-3-(5-phenylmethoxypyridin-2-yl)propan-2-yl]carbamate Traditional Name: N-[1-[(5-benzoxy-2-pyridyl)methyl]-2-keto-2-(stearylamino)ethyl]carbamic acid tert-butyl ester Formula: C38H61N3O4 MolecularWeight: 623.90864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=NC=C(C=C1)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=NC=C(C=C1)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H61N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-39-36(42)35(41-37(43)45-38(2,3)4)29-33-26-27-34(30-40-33)44-31-32-24-21-20-22-25-32/h20-22,24-27,30,35H,5-19,23,28-29,31H2,1-4H3,(H,39,42)(H,41,43)