2-[3-(aminocarbonylamino)-1-[(2-bromophenyl)methyl]-2-ethyl-indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(aminocarbonylamino)-1-[(2-bromophenyl)methyl]-2-ethyl-indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-[(2-bromophenyl)methyl]-2-ethyl-3-ureido-indol-4-yl]oxyacetic acid CAS Name: 2-[[1-[(2-bromophenyl)methyl]-3-(carbamoylamino)-2-ethyl-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-[(2-bromophenyl)methyl]-3-(carbamoylamino)-2-ethylindol-4-yl]oxyacetic acid Traditional Name: 2-[1-(2-bromobenzyl)-2-ethyl-3-ureido-indol-4-yl]oxyacetic acid Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3Br)C=CC=C2OCC(=O)O)NC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3Br)C=CC=C2OCC(=O)O)NC(=O)N

InChI

InChI=1S/C20H20BrN3O4/c1-2-14-19(23-20(22)27)18-15(8-5-9-16(18)28-11-17(25)26)24(14)10-12-6-3-4-7-13(12)21/h3-9H,2,10-11H2,1H3,(H,25,26)(H3,22,23,27)