[(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[2-(2-hydroxyethyloxy)ethenyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 4-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3aS,4R,7aR)-6-[(2-hydroxyethylamino)-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-(2-hydroxyethylcarbamoyl)-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 4-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-2,2-diamyl-6-(2-hydroxyethylcarbamoyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C31H45NO8 MolecularWeight: 559.6909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO8/c1-3-5-7-14-31(15-8-6-4-2)39-27-22-25(29(35)32-16-17-33)21-26(28(27)40-31)38-30(36)24-11-9-23(10-12-24)13-19-37-20-18-34/h9-13,19,22,26-28,33-34H,3-8,14-18,20-21H2,1-2H3,(H,32,35)/t26-,27-,28+/m1/s1