methyl 3-[[3-(1H-indol-3-yl)propanoylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[[3-(1H-indol-3-yl)propanoylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[[3-(1H-indol-3-yl)propanoylamino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(1H-indol-3-yl)propanoylamino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[[3-(1H-indol-3-yl)propanoylamino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H25N5O4/c1-34-25(33)19-11-17(12-20(13-19)29-24(32)16-30-10-4-9-28-30)14-27-23(31)8-7-18-15-26-22-6-3-2-5-21(18)22/h2-6,9-13,15,26H,7-8,14,16H2,1H3,(H,27,31)(H,29,32)