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

Systemtic Name: 4-[[[3-[3-(4-cyanophenyl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(4-cyanophenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(4-cyanophenyl)prop-1-ynyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(4-cyanophenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(4-cyanophenyl)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(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H18N2O3/c26-16-20-9-7-18(8-10-20)3-1-4-19-5-2-6-23(15-19)24(28)27-17-21-11-13-22(14-12-21)25(29)30/h2,5-15H,3,17H2,(H,27,28)(H,29,30)