[(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethyloxy)ethenyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R)-1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 3-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3aS,4R,7aR)-6-[[[(2R)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 3-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-2,2-diamyl-6-[[(1R)-1-benzyl-2-(2-hydroxyethylamino)-2-keto-ethyl]-methyl-carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C41H56N2O9 MolecularWeight: 720.89134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=COCCO)C(=O)N(C)C(CC4=CC=CC=C4)C(=O)NCCO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=COCCO)C(=O)N(C)[C@H](CC4=CC=CC=C4)C(=O)NCCO)CCCCC

InChI

InChI=1S/C41H56N2O9/c1-4-6-11-19-41(20-12-7-5-2)51-36-29-33(39(47)43(3)34(38(46)42-21-22-44)27-30-14-9-8-10-15-30)28-35(37(36)52-41)50-40(48)32-17-13-16-31(26-32)18-24-49-25-23-45/h8-10,13-18,24,26,29,34-37,44-45H,4-7,11-12,19-23,25,27-28H2,1-3H3,(H,42,46)/t34-,35-,36-,37+/m1/s1