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

Systemtic Name: 4-[[[3-(3-pyridin-4-ylprop-1-ynyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(4-pyridyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-(3-pyridin-4-ylprop-1-ynyl)-4-pyridinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-pyridin-4-ylprop-1-ynyl)pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(4-pyridyl)prop-1-ynyl]isonicotinoyl]amino]methyl]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C(C=NC=C2)C#CCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C(C=NC=C2)C#CCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H17N3O3/c26-21(25-14-17-4-6-18(7-5-17)22(27)28)20-10-13-24-15-19(20)3-1-2-16-8-11-23-12-9-16/h4-13,15H,2,14H2,(H,25,26)(H,27,28)