4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-6-chloranyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-6-chloranyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-bromo-6-chloro-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-bromo-6-chloro-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-bromo-6-chloroindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-bromo-6-chloro-indol-5-yl]oxybutyric acid Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC(=C(C=C3C(=C2Br)CC(=O)N)OCCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC(=C(C=C3C(=C2Br)CC(=O)N)OCCCC(=O)O)Cl

InChI

InChI=1S/C21H20BrClN2O4/c22-21-15(10-19(24)26)14-9-18(29-8-4-7-20(27)28)16(23)11-17(14)25(21)12-13-5-2-1-3-6-13/h1-3,5-6,9,11H,4,7-8,10,12H2,(H2,24,26)(H,27,28)