dimethyl 2-[[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]methylidene]propanedioate Openeye Name: dimethyl 2-[[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]methylene]propanedioate CAS Name: 2-[[4-[2-(1-pyrrolo[2,3-b]pyridinyl)ethoxy]phenyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]methylidene]propanedioate Traditional Name: 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzylidene]malonic acid dimethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)OCCN2C=CC3=C2N=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=CC=C(C=C1)OCCN2C=CC3=C2N=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-26-20(24)18(21(25)27-2)14-15-5-7-17(8-6-15)28-13-12-23-11-9-16-4-3-10-22-19(16)23/h3-11,14H,12-13H2,1-2H3