(3aR)-7-[(E)-2-[5-(2-cyanophenyl)pyridin-2-yl]ethenyl]-N-[1-(hydroxymethyl)cyclopropyl]-1,5,6-trimethyl-3-oxidanylidene-1,4,5,6,7,7a-hexahydro-2-benzofuran-3a-carboxamide

Systemtic Name: (3aR)-7-[(E)-2-[5-(2-cyanophenyl)pyridin-2-yl]ethenyl]-N-[1-(hydroxymethyl)cyclopropyl]-1,5,6-trimethyl-3-oxidanylidene-1,4,5,6,7,7a-hexahydro-2-benzofuran-3a-carboxamide Openeye Name: (3aR)-7-[(E)-2-[5-(2-cyanophenyl)-2-pyridyl]vinyl]-N-[1-(hydroxymethyl)cyclopropyl]-1,5,6-trimethyl-3-oxo-1,4,5,6,7,7a-hexahydroisobenzofuran-3a-carboxamide CAS Name: (3aR)-7-[(E)-2-[5-(2-cyanophenyl)-2-pyridinyl]ethenyl]-N-[1-(hydroxymethyl)cyclopropyl]-1,5,6-trimethyl-3-oxo-1,4,5,6,7,7a-hexahydroisobenzofuran-3a-carboxamide IUPAC Name: (3aR)-7-[(E)-2-[5-(2-cyanophenyl)pyridin-2-yl]ethenyl]-N-[1-(hydroxymethyl)cyclopropyl]-1,5,6-trimethyl-3-oxo-1,4,5,6,7,7a-hexahydro-2-benzofuran-3a-carboxamide Traditional Name: (3aR)-7-[(E)-2-[5-(2-cyanophenyl)-2-pyridyl]vinyl]-3-keto-1,5,6-trimethyl-N-(1-methylolcyclopropyl)-1,4,5,6,7,7a-hexahydroisobenzofuran-3a-carboxamide Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(C(C(OC2=O)C)C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N)C(=O)NC5(CC5)CO

Isomeric SMILES

CC1C[C@@]2(C(C(OC2=O)C)C(C1C)/C=C/C3=NC=C(C=C3)C4=CC=CC=C4C#N)C(=O)NC5(CC5)CO

InChI

InChI=1S/C30H33N3O4/c1-18-14-30(27(35)33-29(17-34)12-13-29)26(20(3)37-28(30)36)24(19(18)2)11-10-23-9-8-22(16-32-23)25-7-5-4-6-21(25)15-31/h4-11,16,18-20,24,26,34H,12-14,17H2,1-3H3,(H,33,35)/b11-10+/t18?,19?,20?,24?,26?,30-/m1/s1