4-[[[3-(3-cyano-3-phenyl-prop-1-ynyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(3-cyano-3-phenyl-prop-1-ynyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-cyano-3-phenyl-prop-1-ynyl)pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(3-cyano-3-phenylprop-1-ynyl)-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-cyano-3-phenylprop-1-ynyl)pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-cyano-3-phenyl-prop-1-ynyl)isonicotinoyl]amino]methyl]benzoic acid Formula: C24H17N3O3 MolecularWeight: 395.41008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C24H17N3O3/c25-14-20(18-4-2-1-3-5-18)10-11-21-16-26-13-12-22(21)23(28)27-15-17-6-8-19(9-7-17)24(29)30/h1-9,12-13,16,20H,15H2,(H,27,28)(H,29,30)