2,3-dimethoxy-5-[[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]phenyl]methyl]-6-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-[[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]phenyl]methyl]-6-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-[[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxo-propyl]phenyl]methyl]-6-methyl-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-[[4-[3-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl]phenyl]methyl]-6-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-[[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]phenyl]methyl]-6-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[4-[3-keto-3-[(2S)-2-(methoxymethyl)pyrrolidino]propyl]benzyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)N3CCCC3COC

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)N3CCC[C@H]3COC

InChI

InChI=1S/C25H31NO6/c1-16-20(23(29)25(32-4)24(31-3)22(16)28)14-18-9-7-17(8-10-18)11-12-21(27)26-13-5-6-19(26)15-30-2/h7-10,19H,5-6,11-15H2,1-4H3/t19-/m0/s1