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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-indol-5-yl]oxybutyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)OCCCC(=O)O)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)OCCCC(=O)O)CC(=O)N

InChI

InChI=1S/C21H22N2O4/c22-20(24)11-16-14-23(13-15-5-2-1-3-6-15)19-9-8-17(12-18(16)19)27-10-4-7-21(25)26/h1-3,5-6,8-9,12,14H,4,7,10-11,13H2,(H2,22,24)(H,25,26)