3-(5-acetyloxy-1H-indol-3-yl)-2-azanyl-propanoic acid; ethanoic acid

Systemtic Name: 3-(5-acetyloxy-1H-indol-3-yl)-2-azanyl-propanoic acid; ethanoic acid Openeye Name: acetic acid; 3-(5-acetoxy-1H-indol-3-yl)-2-amino-propanoic acid CAS Name: acetic acid; 3-(5-acetyloxy-1H-indol-3-yl)-2-aminopropanoic acid IUPAC Name: acetic acid; 3-(5-acetyloxy-1H-indol-3-yl)-2-aminopropanoic acid Traditional Name: acetic acid; 3-(5-acetoxy-1H-indol-3-yl)-2-amino-propionic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)OC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N

Isomeric SMILES

CC(=O)O.CC(=O)OC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N

InChI

InChI=1S/C13H14N2O4.C2H4O2/c1-7(16)19-9-2-3-12-10(5-9)8(6-15-12)4-11(14)13(17)18;1-2(3)4/h2-3,5-6,11,15H,4,14H2,1H3,(H,17,18);1H3,(H,3,4)