4-[3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxybutanoic acid

Systemtic Name: 4-[3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxybutanoic acid Openeye Name: 4-(1-benzyl-3-oxamoyl-indol-4-yl)oxybutanoic acid CAS Name: 4-[[3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]butanoic acid IUPAC Name: 4-(1-benzyl-3-oxamoylindol-4-yl)oxybutanoic acid Traditional Name: 4-(1-benzyl-3-oxamoyl-indol-4-yl)oxybutyric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC=C3OCCCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC=C3OCCCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C21H20N2O5/c22-21(27)20(26)15-13-23(12-14-6-2-1-3-7-14)16-8-4-9-17(19(15)16)28-11-5-10-18(24)25/h1-4,6-9,13H,5,10-12H2,(H2,22,27)(H,24,25)