2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H21ClN2O4/c1-12-7-15(8-13(2)20(12)22)28-11-19(25)24-18(21(26)27)9-14-10-23-17-6-4-3-5-16(14)17/h3-8,10,18,23H,9,11H2,1-2H3,(H,24,25)(H,26,27)