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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-bromo-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-bromo-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-bromoindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-bromo-indol-5-yl]oxybutyric acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCCCC(=O)O)C(=C2Br)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCCCC(=O)O)C(=C2Br)CC(=O)N

InChI

InChI=1S/C21H21BrN2O4/c22-21-17(12-19(23)25)16-11-15(28-10-4-7-20(26)27)8-9-18(16)24(21)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H2,23,25)(H,26,27)