2-[(2-ethyl-3-oxamoyl-1H-indol-4-yl)-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(2-ethyl-3-oxamoyl-1H-indol-4-yl)-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-(2-ethyl-3-oxamoyl-1H-indol-4-yl)amino]acetic acid CAS Name: 2-[(2-ethyl-3-oxamoyl-1H-indol-4-yl)-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(2-ethyl-3-oxamoyl-1H-indol-4-yl)amino]acetic acid Traditional Name: 2-[benzyl-(2-ethyl-3-oxamoyl-1H-indol-4-yl)amino]acetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1)C=CC=C2N(CC3=CC=CC=C3)CC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1)C=CC=C2N(CC3=CC=CC=C3)CC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C21H21N3O4/c1-2-14-19(20(27)21(22)28)18-15(23-14)9-6-10-16(18)24(12-17(25)26)11-13-7-4-3-5-8-13/h3-10,23H,2,11-12H2,1H3,(H2,22,28)(H,25,26)