[(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-(2-hydroxyphenyl)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-(2-hydroxyphenyl)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-(2-hydroxyphenyl)prop-1-enyl]benzoate CAS Name: 3-[3-(2-hydroxyphenyl)prop-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-(2-hydroxyphenyl)prop-1-enyl]benzoate Traditional Name: 3-[3-(2-hydroxyphenyl)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: C46H58N2O8 MolecularWeight: 766.96132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=CCC4=CC=CC=C4O)C(=O)N(C)C(CC5=CC=CC=C5)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=CCC4=CC=CC=C4O)C(=O)N(C)[C@H](CC5=CC=CC=C5)C(=O)NCCO)CCCCC

InChI

InChI=1S/C46H58N2O8/c1-4-6-13-25-46(26-14-7-5-2)55-41-32-37(44(52)48(3)38(43(51)47-27-28-49)30-34-17-9-8-10-18-34)31-40(42(41)56-46)54-45(53)36-23-16-20-33(29-36)19-15-22-35-21-11-12-24-39(35)50/h8-12,15-21,23-24,29,32,38,40-42,49-50H,4-7,13-14,22,25-28,30-31H2,1-3H3,(H,47,51)/t38-,40-,41-,42+/m1/s1