2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4/c1-14-11-16(23)8-9-20(14)29-10-4-7-21(26)25-19(22(27)28)12-15-13-24-18-6-3-2-5-17(15)18/h2-3,5-6,8-9,11,13,19,24H,4,7,10,12H2,1H3,(H,25,26)(H,27,28)