methyl 1-[2-oxidanylidene-2-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[3-[2-(2-pyridyl)ethynyl]anilino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[3-[2-(2-pyridinyl)ethynyl]anilino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-[2-(2-pyridyl)ethynyl]anilino]ethyl]indole-3-carboxylic acid methyl ester Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C25H19N3O3/c1-31-25(30)22-16-28(23-11-3-2-10-21(22)23)17-24(29)27-20-9-6-7-18(15-20)12-13-19-8-4-5-14-26-19/h2-11,14-16H,17H2,1H3,(H,27,29)