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

Systemtic Name: 3-[1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[2-(cyanomethylamino)-2-oxo-ethyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[2-(cyanomethylamino)-2-oxoethyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[2-(cyanomethylamino)-2-oxoethyl]indol-3-yl]propanoic acid Traditional Name: 3-[1-[2-(cyanomethylamino)-2-keto-ethyl]indol-3-yl]propionic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)NCC#N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)NCC#N)CCC(=O)O

InChI

InChI=1S/C15H15N3O3/c16-7-8-17-14(19)10-18-9-11(5-6-15(20)21)12-3-1-2-4-13(12)18/h1-4,9H,5-6,8,10H2,(H,17,19)(H,20,21)