methyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoate; pyridine-3-carboxylic acid

Systemtic Name: methyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoate; pyridine-3-carboxylic acid Openeye Name: methyl 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetate; nicotinic acid CAS Name: 2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid methyl ester; 3-pyridinecarboxylic acid IUPAC Name: methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetate; pyridine-3-carboxylic acid Traditional Name: 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetic acid methyl ester; nicotinic acid Formula: C28H27N3O7 MolecularWeight: 517.52988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC)C(=O)C(=O)N.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC)C(=O)C(=O)N.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C22H22N2O5.C6H5NO2/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2;8-6(9)5-2-1-3-7-4-5/h4-11H,3,12-13H2,1-2H3,(H2,23,27);1-4H,(H,8,9)