4-[[[3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(2-methoxy-4-pyridinyl)prop-1-ynyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=NC=CC(=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H20N2O4/c1-30-22-15-18(12-13-25-22)5-2-4-17-6-3-7-21(14-17)23(27)26-16-19-8-10-20(11-9-19)24(28)29/h3,6-15H,5,16H2,1H3,(H,26,27)(H,28,29)