4-[[[3-(3-pyridin-4-ylprop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(3-pyridin-4-ylprop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(4-pyridyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-(3-pyridin-4-ylprop-1-ynyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-pyridin-4-ylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(4-pyridyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Formula: C23H18N2O3 MolecularWeight: 370.40062

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O3/c26-22(25-16-19-7-9-20(10-8-19)23(27)28)21-6-2-5-18(15-21)4-1-3-17-11-13-24-14-12-17/h2,5-15H,3,16H2,(H,25,26)(H,27,28)