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

Systemtic Name: 4-[8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-dimethoxy-4-oxidanylidene-chromen-2-yl]-3-methyl-benzenecarbonitrile Openeye Name: 4-[8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-dimethoxy-4-oxo-chromen-2-yl]-3-methyl-benzonitrile CAS Name: 4-[8-[2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-5,7-dimethoxy-4-oxo-1-benzopyran-2-yl]-3-methylbenzonitrile IUPAC Name: 4-[8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxy-4-oxochromen-2-yl]-3-methylbenzonitrile Traditional Name: 4-[4-keto-5,7-dimethoxy-8-(1-methyl-2-methylol-pyrrolidin-3-yl)chromen-2-yl]-3-methyl-benzonitrile Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)C4CCN(C4CO)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)C4CCN(C4CO)C

InChI

InChI=1S/C25H26N2O5/c1-14-9-15(12-26)5-6-16(14)20-10-19(29)24-22(31-4)11-21(30-3)23(25(24)32-20)17-7-8-27(2)18(17)13-28/h5-6,9-11,17-18,28H,7-8,13H2,1-4H3