3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-(2,4,6-trimethylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylbenzoyl)amino]propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C

InChI

InChI=1S/C21H22N2O3/c1-12-8-13(2)19(14(3)9-12)20(24)23-18(21(25)26)10-15-11-22-17-7-5-4-6-16(15)17/h4-9,11,18,22H,10H2,1-3H3,(H,23,24)(H,25,26)