dimethyl 2-[[1-(phenylmethyl)indol-3-yl]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[1-(phenylmethyl)indol-3-yl]methylidene]propanedioate Openeye Name: dimethyl 2-[(1-benzylindol-3-yl)methylene]propanedioate CAS Name: 2-[[1-(phenylmethyl)-3-indolyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1-benzylindol-3-yl)methylidene]propanedioate Traditional Name: 2-[(1-benzylindol-3-yl)methylene]malonic acid dimethyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19NO4/c1-25-20(23)18(21(24)26-2)12-16-14-22(13-15-8-4-3-5-9-15)19-11-7-6-10-17(16)19/h3-12,14H,13H2,1-2H3