4-[[[5-(3-phenylprop-1-ynyl)pyridin-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[5-(3-phenylprop-1-ynyl)pyridin-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[5-(3-phenylprop-1-ynyl)pyridine-3-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[5-(3-phenylprop-1-ynyl)-3-pyridinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-(3-phenylprop-1-ynyl)pyridine-3-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-(3-phenylprop-1-ynyl)nicotinoyl]amino]methyl]benzoic acid Formula: C23H18N2O3 MolecularWeight: 370.40062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O3/c26-22(25-15-18-9-11-20(12-10-18)23(27)28)21-13-19(14-24-16-21)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-14,16H,7,15H2,(H,25,26)(H,27,28)