(2R,7aR)-6-methoxy-2-[2-(4-methoxy-3-phenylmethoxy-phenyl)-1-nitro-ethyl]-4,7a-dimethyl-2,3-dihydro-1-benzofuran-5-one

Systemtic Name: (2R,7aR)-6-methoxy-2-[2-(4-methoxy-3-phenylmethoxy-phenyl)-1-nitro-ethyl]-4,7a-dimethyl-2,3-dihydro-1-benzofuran-5-one Openeye Name: (2R,7aR)-2-[2-(3-benzyloxy-4-methoxy-phenyl)-1-nitro-ethyl]-6-methoxy-4,7a-dimethyl-2,3-dihydrobenzofuran-5-one CAS Name: (2R,7aR)-6-methoxy-2-[2-(4-methoxy-3-phenylmethoxyphenyl)-1-nitroethyl]-4,7a-dimethyl-2,3-dihydrobenzofuran-5-one IUPAC Name: (2R,7aR)-6-methoxy-2-[2-(4-methoxy-3-phenylmethoxyphenyl)-1-nitroethyl]-4,7a-dimethyl-2,3-dihydro-1-benzofuran-5-one Traditional Name: (2R,7aR)-2-[2-(3-benzoxy-4-methoxy-phenyl)-1-nitro-ethyl]-6-methoxy-4,7a-dimethyl-2,3-dihydrobenzofuran-5-one Formula: C27H29NO7 MolecularWeight: 479.52166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(OC2(C=C(C1=O)OC)C)C(CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C[C@@H](O[C@@]2(C=C(C1=O)OC)C)C(CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29NO7/c1-17-20-14-23(35-27(20,2)15-25(33-4)26(17)29)21(28(30)31)12-19-10-11-22(32-3)24(13-19)34-16-18-8-6-5-7-9-18/h5-11,13,15,21,23H,12,14,16H2,1-4H3/t21?,23-,27-/m1/s1