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

Systemtic Name: 2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]-3-oxidanyl-propanoic acid Openeye Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)-3-hydroxy-propanoic acid CAS Name: 3-hydroxy-2-[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]propanoic acid IUPAC Name: 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)-3-hydroxypropanoic acid Traditional Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)-3-hydroxy-propionic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-12-17(19(25)20(22)26)18-14(15(11-24)21(27)28)8-5-9-16(18)23(12)10-13-6-3-2-4-7-13/h2-9,15,24H,10-11H2,1H3,(H2,22,26)(H,27,28)