2-[2-methyl-3-oxamoyl-1-(phenylmethyl)pyrrolo[3,2-c]pyridin-4-yl]oxybutanoic acid

Systemtic Name: 2-[2-methyl-3-oxamoyl-1-(phenylmethyl)pyrrolo[3,2-c]pyridin-4-yl]oxybutanoic acid Openeye Name: 2-(1-benzyl-2-methyl-3-oxamoyl-pyrrolo[3,2-c]pyridin-4-yl)oxybutanoic acid CAS Name: 2-[[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-pyrrolo[3,2-c]pyridinyl]oxy]butanoic acid IUPAC Name: 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxybutanoic acid Traditional Name: 2-(1-benzyl-2-methyl-3-oxamoyl-pyrrolo[3,2-c]pyridin-4-yl)oxybutyric acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=NC=CC2=C1C(=C(N2CC3=CC=CC=C3)C)C(=O)C(=O)N

Isomeric SMILES

CCC(C(=O)O)OC1=NC=CC2=C1C(=C(N2CC3=CC=CC=C3)C)C(=O)C(=O)N

InChI

InChI=1S/C21H21N3O5/c1-3-15(21(27)28)29-20-17-14(9-10-23-20)24(11-13-7-5-4-6-8-13)12(2)16(17)18(25)19(22)26/h4-10,15H,3,11H2,1-2H3,(H2,22,26)(H,27,28)