3-chloranyl-4-[8-[(2S,3R)-2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-dimethoxy-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-chloranyl-4-[8-[(2S,3R)-2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-dimethoxy-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile hydrochloride Openeye Name: 3-chloro-4-[8-[(2S,3R)-2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-dimethoxy-4-oxo-chromen-2-yl]benzonitrile hydrochloride CAS Name: 3-chloro-4-[8-[(2S,3R)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-5,7-dimethoxy-4-oxo-1-benzopyran-2-yl]benzonitrile hydrochloride IUPAC Name: 3-chloro-4-[8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxy-4-oxochromen-2-yl]benzonitrile hydrochloride Traditional Name: 3-chloro-4-[4-keto-5,7-dimethoxy-8-[(2S,3R)-1-methyl-2-methylol-pyrrolidin-3-yl]chromen-2-yl]benzonitrile hydrochloride Formula: C24H24Cl2N2O5 MolecularWeight: 491.36376

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C#N)Cl)OC)OC.Cl

Isomeric SMILES

CN1CC[C@@H]([C@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C#N)Cl)OC)OC.Cl

InChI

InChI=1S/C24H23ClN2O5.ClH/c1-27-7-6-15(17(27)12-28)22-20(30-2)10-21(31-3)23-18(29)9-19(32-24(22)23)14-5-4-13(11-26)8-16(14)25;/h4-5,8-10,15,17,28H,6-7,12H2,1-3H3;1H/t15-,17+;/m0./s1