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

Systemtic Name: dimethyl 2-[[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-(1-pyrrolo[2,3-b]pyridinyl)ethoxy]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]methyl]propanedioate Traditional Name: 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzyl]malonic acid dimethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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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/C21H22N2O5/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/h3-11,18H,12-14H2,1-2H3