2,3-dimethyl-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]indole-5-carboxylic acid

Systemtic Name: 2,3-dimethyl-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]indole-5-carboxylic acid Openeye Name: 2,3-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]indole-5-carboxylic acid CAS Name: 2,3-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-indolecarboxylic acid IUPAC Name: 2,3-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]indole-5-carboxylic acid Traditional Name: 1-[2-keto-2-(propargylamino)ethyl]-2,3-dimethyl-indole-5-carboxylic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC(=O)NCC#C)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC(=O)NCC#C)C

InChI

InChI=1S/C16H16N2O3/c1-4-7-17-15(19)9-18-11(3)10(2)13-8-12(16(20)21)5-6-14(13)18/h1,5-6,8H,7,9H2,2-3H3,(H,17,19)(H,20,21)