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

Systemtic Name: 4-[[[3-(3-cyano-3-phenyl-prop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-cyano-3-phenyl-prop-1-ynyl)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(3-cyano-3-phenylprop-1-ynyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-cyano-3-phenylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-cyano-3-phenyl-prop-1-ynyl)benzoyl]amino]methyl]benzoic acid Formula: C25H18N2O3 MolecularWeight: 394.42202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O3/c26-16-23(20-6-2-1-3-7-20)14-9-18-5-4-8-22(15-18)24(28)27-17-19-10-12-21(13-11-19)25(29)30/h1-8,10-13,15,23H,17H2,(H,27,28)(H,29,30)