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

Systemtic Name: 4-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-(phenylmethyl)indol-6-yl]oxybutanoic acid Openeye Name: 4-[1-(2-amino-2-oxo-ethyl)-3-benzyl-2-ethyl-indol-6-yl]oxybutanoic acid CAS Name: 4-[[1-(2-amino-2-oxoethyl)-2-ethyl-3-(phenylmethyl)-6-indolyl]oxy]butanoic acid IUPAC Name: 4-[1-(2-amino-2-oxoethyl)-3-benzyl-2-ethylindol-6-yl]oxybutanoic acid Traditional Name: 4-[1-(2-amino-2-keto-ethyl)-3-benzyl-2-ethyl-indol-6-yl]oxybutyric acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)OCCCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)OCCCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-2-20-19(13-16-7-4-3-5-8-16)18-11-10-17(29-12-6-9-23(27)28)14-21(18)25(20)15-22(24)26/h3-5,7-8,10-11,14H,2,6,9,12-13,15H2,1H3,(H2,24,26)(H,27,28)