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

Systemtic Name: 3-[1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[2-(2-cyanoethylamino)-2-oxo-ethyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[2-(2-cyanoethylamino)-2-oxoethyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[2-(2-cyanoethylamino)-2-oxoethyl]indol-3-yl]propanoic acid Traditional Name: 3-[1-[2-(2-cyanoethylamino)-2-keto-ethyl]indol-3-yl]propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c17-8-3-9-18-15(20)11-19-10-12(6-7-16(21)22)13-4-1-2-5-14(13)19/h1-2,4-5,10H,3,6-7,9,11H2,(H,18,20)(H,21,22)