3-(1H-indol-3-yl)-2-[(4-propan-2-ylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-propan-2-ylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(4-isopropylbenzoyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid Traditional Name: 2-(cumoylamino)-3-(1H-indol-3-yl)propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-13(2)14-7-9-15(10-8-14)20(24)23-19(21(25)26)11-16-12-22-18-6-4-3-5-17(16)18/h3-10,12-13,19,22H,11H2,1-2H3,(H,23,24)(H,25,26)