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

Systemtic Name: 4-[[[3-(3-pyridin-3-ylprop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(3-pyridyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-[3-(3-pyridinyl)prop-1-ynyl]phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-pyridin-3-ylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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