(phenylmethyl) N-[6-(decanoylamino)-1-(3,3-diphenylpropylamino)-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[6-(decanoylamino)-1-(3,3-diphenylpropylamino)-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: benzyl N-[5-(decanoylamino)-1-(3,3-diphenylpropylcarbamoyl)pentyl]carbamate CAS Name: N-[1-(3,3-diphenylpropylamino)-1-oxo-6-(1-oxodecylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-(decanoylamino)-1-(3,3-diphenylpropylamino)-1-oxohexan-2-yl]carbamate Traditional Name: N-[5-(caprylamino)-1-(3,3-diphenylpropylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C39H53N3O4 MolecularWeight: 627.85582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCCCCC(C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC(=O)NCCCCC(C(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C39H53N3O4/c1-2-3-4-5-6-7-17-27-37(43)40-29-19-18-26-36(42-39(45)46-31-32-20-11-8-12-21-32)38(44)41-30-28-35(33-22-13-9-14-23-33)34-24-15-10-16-25-34/h8-16,20-25,35-36H,2-7,17-19,26-31H2,1H3,(H,40,43)(H,41,44)(H,42,45)