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

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

Isomeric SMILES

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

InChI

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