2-[2-(3,5-dimethylphenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-13-7-14(2)9-16(8-13)27-12-20(24)23-19(21(25)26)10-15-11-22-18-6-4-3-5-17(15)18/h3-9,11,19,22H,10,12H2,1-2H3,(H,23,24)(H,25,26)