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

Systemtic Name: dimethyl 2-[[4-(2-pyrrolo[3,2-c]pyridin-1-ylethoxy)phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-(2-pyrrolo[3,2-c]pyridin-1-ylethoxy)phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-(1-pyrrolo[3,2-c]pyridinyl)ethoxy]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(2-pyrrolo[3,2-c]pyridin-1-ylethoxy)phenyl]methyl]propanedioate Traditional Name: 2-[4-(2-pyrrolo[3,2-c]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=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/C21H22N2O5/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/h3-10,14,18H,11-13H2,1-2H3