3-[(4-propanoylphenyl)carbonylamino]-4-[4-(1H-pyrazol-5-yl)butylcarbamoyl]benzoic acid

Systemtic Name: 3-[(4-propanoylphenyl)carbonylamino]-4-[4-(1H-pyrazol-5-yl)butylcarbamoyl]benzoic acid Openeye Name: 3-[(4-propanoylbenzoyl)amino]-4-[4-(1H-pyrazol-5-yl)butylcarbamoyl]benzoic acid CAS Name: 3-[[oxo-[4-(1-oxopropyl)phenyl]methyl]amino]-4-[oxo-[4-(1H-pyrazol-5-yl)butylamino]methyl]benzoic acid IUPAC Name: 3-[(4-propanoylbenzoyl)amino]-4-[4-(1H-pyrazol-5-yl)butylcarbamoyl]benzoic acid Traditional Name: 3-[(4-propionylbenzoyl)amino]-4-[4-(1H-pyrazol-5-yl)butylcarbamoyl]benzoic acid Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)NCCCCC3=CC=NN3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)NCCCCC3=CC=NN3

InChI

InChI=1S/C25H26N4O5/c1-2-22(30)16-6-8-17(9-7-16)23(31)28-21-15-18(25(33)34)10-11-20(21)24(32)26-13-4-3-5-19-12-14-27-29-19/h6-12,14-15H,2-5,13H2,1H3,(H,26,32)(H,27,29)(H,28,31)(H,33,34)