[(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-[3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]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-[3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]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-[3-(dimethylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 3-[3-(dimethylamino)-3-oxoprop-1-enyl]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-[3-(dimethylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 3-[3-(dimethylamino)-3-keto-prop-1-enyl]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: C42H57N3O8 MolecularWeight: 731.91728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=CC(=O)N(C)C)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=CC(=O)N(C)C)C(=O)N(C)[C@H](CC4=CC=CC=C4)C(=O)NCCO)CCCCC

InChI

InChI=1S/C42H57N3O8/c1-6-8-13-22-42(23-14-9-7-2)52-36-29-33(40(49)45(5)34(39(48)43-24-25-46)27-30-16-11-10-12-17-30)28-35(38(36)53-42)51-41(50)32-19-15-18-31(26-32)20-21-37(47)44(3)4/h10-12,15-21,26,29,34-36,38,46H,6-9,13-14,22-25,27-28H2,1-5H3,(H,43,48)/t34-,35-,36-,38+/m1/s1