[7-methoxy-3-methyl-8-[(1S)-3-methyl-1-oxidanyl-butyl]-6-oxidanylidene-benzo[b][1,4]benzodioxepin-1-yl] pyrrolidine-1-carboxylate

Systemtic Name: [7-methoxy-3-methyl-8-[(1S)-3-methyl-1-oxidanyl-butyl]-6-oxidanylidene-benzo[b][1,4]benzodioxepin-1-yl] pyrrolidine-1-carboxylate Openeye Name: [8-[(1S)-1-hydroxy-3-methyl-butyl]-7-methoxy-3-methyl-6-oxo-benzo[b][1,4]benzodioxepin-1-yl] pyrrolidine-1-carboxylate CAS Name: 1-pyrrolidinecarboxylic acid [8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methyl-6-oxo-1-benzo[b][1,4]benzodioxepinyl] ester IUPAC Name: [8-[(1S)-1-hydroxy-3-methylbutyl]-7-methoxy-3-methyl-6-oxobenzo[b][1,4]benzodioxepin-1-yl] pyrrolidine-1-carboxylate Traditional Name: pyrrolidine-1-carboxylic acid [8-[(1S)-1-hydroxy-3-methyl-butyl]-6-keto-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-1-yl] ester Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OC(=O)N3CCCC3)OC4=C(C(=C(C=C4)C(CC(C)C)O)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C(=C1)OC(=O)N3CCCC3)OC4=C(C(=C(C=C4)[C@H](CC(C)C)O)OC)C(=O)O2

InChI

InChI=1S/C25H29NO7/c1-14(2)11-17(27)16-7-8-18-21(22(16)30-4)24(28)32-19-12-15(3)13-20(23(19)31-18)33-25(29)26-9-5-6-10-26/h7-8,12-14,17,27H,5-6,9-11H2,1-4H3/t17-/m0/s1