4-[[[4-(3-phenylprop-1-ynyl)pyridin-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(3-phenylprop-1-ynyl)pyridin-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(3-phenylprop-1-ynyl)pyridine-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[4-(3-phenylprop-1-ynyl)-2-pyridinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(3-phenylprop-1-ynyl)pyridine-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-(3-phenylprop-1-ynyl)picolinoyl]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(=NC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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