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

Systemtic Name: 4-[[[3-[3-(4-cyanophenyl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(4-cyanophenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(4-cyanophenyl)prop-1-ynyl]-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(4-cyanophenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(4-cyanophenyl)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(=CC=C1CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C24H17N3O3/c25-14-18-6-4-17(5-7-18)2-1-3-21-16-26-13-12-22(21)23(28)27-15-19-8-10-20(11-9-19)24(29)30/h4-13,16H,2,15H2,(H,27,28)(H,29,30)