3-[1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]indol-3-yl]propanoic acid Traditional Name: 3-[1-[2-keto-2-(propargylamino)ethyl]indol-3-yl]propionic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1C=C(C2=CC=CC=C21)CCC(=O)O

Isomeric SMILES

C#CCNC(=O)CN1C=C(C2=CC=CC=C21)CCC(=O)O

InChI

InChI=1S/C16H16N2O3/c1-2-9-17-15(19)11-18-10-12(7-8-16(20)21)13-5-3-4-6-14(13)18/h1,3-6,10H,7-9,11H2,(H,17,19)(H,20,21)