3-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]propanoic acid

Systemtic Name: 3-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]propanoic acid Openeye Name: 3-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)propanoic acid CAS Name: 3-[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]propanoic acid IUPAC Name: 3-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)propanoic acid Traditional Name: 3-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)propionic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)CCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)CCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C21H20N2O4/c1-13-18(20(26)21(22)27)19-15(10-11-17(24)25)8-5-9-16(19)23(13)12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H2,22,27)(H,24,25)