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

Systemtic Name: 4-[[[3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(2-methoxy-4-pyridinyl)prop-1-ynyl]-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]isonicotinoyl]amino]methyl]benzoic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4/c1-30-21-13-16(9-12-25-21)3-2-4-19-15-24-11-10-20(19)22(27)26-14-17-5-7-18(8-6-17)23(28)29/h5-13,15H,3,14H2,1H3,(H,26,27)(H,28,29)