1-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]indole-4-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]indole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]indole-4-carboxylic acid CAS Name: 1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]-4-indolecarboxylic acid IUPAC Name: 1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]indole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-(propargylamino)ethyl]indole-4-carboxylic acid Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)N1C=CC2=C(C=CC=C21)C(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)N1C=CC2=C(C=CC=C21)C(=O)O

InChI

InChI=1S/C15H14N2O3/c1-3-8-16-14(18)10(2)17-9-7-11-12(15(19)20)5-4-6-13(11)17/h1,4-7,9-10H,8H2,2H3,(H,16,18)(H,19,20)