methyl 3-[2-[3-[3-(1H-indol-3-yl)propanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[3-(1H-indol-3-yl)propanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[3-(1H-indol-3-yl)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[3-(1H-indol-3-yl)propanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(1H-indol-3-yl)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H22N2O3/c1-32-27(31)21-8-4-6-19(16-21)12-13-20-7-5-9-23(17-20)29-26(30)15-14-22-18-28-25-11-3-2-10-24(22)25/h2-11,16-18,28H,14-15H2,1H3,(H,29,30)