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

Systemtic Name: dimethyl 2-[[4-(2-pyrrolo[3,2-c]pyridin-1-ylethoxy)phenyl]methylidene]propanedioate Openeye Name: dimethyl 2-[[4-(2-pyrrolo[3,2-c]pyridin-1-ylethoxy)phenyl]methylene]propanedioate CAS Name: 2-[[4-[2-(1-pyrrolo[3,2-c]pyridinyl)ethoxy]phenyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(2-pyrrolo[3,2-c]pyridin-1-ylethoxy)phenyl]methylidene]propanedioate Traditional Name: 2-[4-(2-pyrrolo[3,2-c]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=C2C=CN=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=CC=C(C=C1)OCCN2C=CC3=C2C=CN=C3)C(=O)OC

InChI

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