[(3'aS,4'R,7'aR)-6'-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl]oxy-3-oxo-prop-1-enyl]benzoate CAS Name: 3-[3-[[(3R)-4,4-dimethyl-2-oxo-3-oxolanyl]oxy]-3-oxoprop-1-enyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[3-[(2-hydroxyethylamino)-oxomethyl]phenyl]methylamino]-oxomethyl]-4'-spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]yl] ester IUPAC Name: [(3'aS,4'R,7'aR)-6'-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]oxy-3-oxoprop-1-enyl]benzoate Traditional Name: 3-[3-keto-3-[(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl]oxy-prop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[3-(2-hydroxyethylcarbamoyl)benzyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C42H42N2O11 MolecularWeight: 750.78968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C1OC(=O)C=CC2=CC(=CC=C2)C(=O)OC3CC(=CC4C3OC5(O4)CC6=CC=CC=C6C5)C(=O)NCC7=CC=CC(=C7)C(=O)NCCO)C

Isomeric SMILES

CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC(=CC=C2)C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC5(O4)CC6=CC=CC=C6C5)C(=O)NCC7=CC=CC(=C7)C(=O)NCCO)C

InChI

InChI=1S/C42H42N2O11/c1-41(2)24-51-40(50)36(41)53-34(46)14-13-25-7-5-12-28(17-25)39(49)52-32-19-31(38(48)44-23-26-8-6-11-27(18-26)37(47)43-15-16-45)20-33-35(32)55-42(54-33)21-29-9-3-4-10-30(29)22-42/h3-14,17-18,20,32-33,35-36,45H,15-16,19,21-24H2,1-2H3,(H,43,47)(H,44,48)/t32-,33-,35+,36+/m1/s1