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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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